TANAKA SHIGENORI 田中成典

… Alternative Names

TANAKA Shigenori 田中成典

Less

Researcher Number	10379480
Other IDs	https://orcid.org/0000-0002-6659-2788
External Links
Affiliation (Current)	2024: 神戸大学, システム情報学研究科, 教授
Affiliation (based on the past Project Information) *help	2016 – 2022: 神戸大学, システム情報学研究科, 教授 2014 – 2016: 神戸大学, その他の研究科, 教授 2015: 神戸大学, システム情報, 教授 2013 – 2014: 神戸大学, システム情報学研究科, 教授 2012: 神戸大学, その他の研究科, 教授 2011: 神戸大学, システム情報学研究科, 教授 2004 – 2005: 神戸大学, 大学院・自然科学研究科, 教授
Review Section/Research Field	Principal Investigator Basic Section 43040:Biophysics-related / Basic Section 17050:Biogeosciences-related / Science and Engineering / Physical pharmacy / Mathematical physics/Fundamental condensed matter physics Except Principal Investigator Physical chemistry / Transition State Control / Nanomaterials/Nanobioscience / Drug development chemistry
Keywords	Principal Investigator 分子動力学法 / 第一原理計算 / 生命の起源 / 細胞内夾雑環境 / 生体高分子 / フラグメント分子軌道法 / 水 / 熱伝導度 / 温度生物学 / 深海熱水噴出孔 … More / 隕石衝突 / 生体分子合成 / 化学反応 / 硫化鉄 / 化学反応ネットワーク / 密度汎関数法 / 第一原理シミュレーション / システム生物学 / 分子認識 / 核酸 / 蛋白質 / ハイパフォーマンス・コンピューティング / 非平衡熱力学 / 生体分子 / モンテカルロ法 / 解離会合過程 / 量子性 / 情報熱力学 / エネルギー移動 / 温度緩和 / 発熱反応 / 加水分解反応 / 非平衡解離過程 / タンパク質多量体 / 細胞内分子夾雑 / 量子生命科学 / 熱伝導 / アミロイド / 自由エネルギー / 会合解離 / 分子夾雑 / 産官学連携 / ハイパフォーマンスコンピューティング / クラスター分析 / 相互作用解析 / 電子状態計算 / リガンドドッキング / インシリコ創薬 / 核量子効果 / 積分方程式 / 経路積分法 / 量子モンテカルロ法 / 電子状態 … More Except Principal Investigator 量子化学計算 / フラグメント分子軌道法 / 温度因子 / 生体高分子 / 熱揺らぎ / 構造解析 / 創薬 / 熱ゆらぎ / 構造最適化 / 電子密度 / 構造生命科学 / リガンド結合 / タンパク質 / 超分解能解析 / 構造精密化 / 電子密度解析 / 計算構造生物学 / 創薬分子設計 / 機能改良 / 遷移状態解析 / 計算結果と実験結果の対応 / 反応経路自動探索プログラム / 遷移状態構造探索 / 酵素反応 / 加水分解反応 / 反応経路自動探索 / 実験結果と計算結果の対応 / 活性化エネルギー / 遷移状態構造 / 計算精度 / ハロ酸脱ハロゲン化酵素 / QM/MM計算 / 遷移状態エネルギー分割法 / quantum chemical calculation / crrent-voltage property / DNA charge transfer / molecular orbital calculation / molecular dynamics simulation / DNA chip / 電荷平衡法 / フロンティア分子軌道 / 電流電圧特性 / 密度汎関数法 / DNAミスマッチ / PNA / 電荷移動 / DNAチップ / 癌 / がん遺伝子 / シグナル伝達 / がん / 分子標的薬 / 医薬分子設計 Less

Computational study on thermal relaxation processes in biomolecular systemsPrincipal Investigator
- Principal Investigator
  
  田中成典
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 43040:Biophysics-related
- Research Institution
  Kobe University
Computer simulation on material synthesis for origin of lifePrincipal Investigator
- Principal Investigator
  
  Tanaka Shigenori
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 17050:Biogeosciences-related
- Research Institution
  Kobe University
Informational thermodynamics of biomolecular crowding systems in waterPrincipal Investigator
- Principal Investigator
  
  Tanaka Shigenori
- Project Period (FY)
  2017 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Kobe University
Development of analysis method of transition state for improvement of enzymatic function
- Principal Investigator
  
  Nakamura Takashi
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Transition State Control
- Research Institution
  Nagahama Institute of Bio-Science and Technology
Development of super-resolution structure analysis techniques for bio-macromolecules based on a quantum chemical calculation
- Principal Investigator
  
  Fukuzawa Kaori
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Hoshi University
  Nihon University
Research on the molecular basis of conformational dynamics of oncogene product Ras for application to the development of its specific inhibitors
- Principal Investigator
  
  shima fumi
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Drug development chemistry
- Research Institution
  Kobe University
Development of theoretical methods for interaction analysis of protein-ligand systems in computational drug designPrincipal Investigator
- Principal Investigator
  
  TANAKA Shigenori
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Kobe University
First-principles simulations of water on the basis of quantum Monte Carlo and fragment molecular orbital methodsPrincipal Investigator
- Principal Investigator
  
  TANAKA Shigenori
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Mathematical physics/Fundamental condensed matter physics
- Research Institution
  Kobe University
Analysis of charge transfer and I-V property for the DNA chip by quantum chemical calculations
- Principal Investigator
  
  KURITA Noriyuki
- Project Period (FY)
  2003 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nanomaterials/Nanobioscience
- Research Institution
  Toyohashi University of Technology

[Book] Recent Advances of the Fragment Molecular Orbital Method: Enhanced Performance and Applicability2021
- Author(s)
  Y. Mochizuki, S. Tanaka, K. Fukuzawa
- Total Pages
  616
- Publisher
  Springer
- Data Source
  KAKENHI-PROJECT-18K03825
[Book] Recent Advances of the Fragment Molecular Orbital Method: Enhanced Performance and Applicability2021
- Author(s)
  Y. Mochizuki, S. Tanaka, K. Fukuzawa
- Total Pages
  616
- Publisher
  Springer
- ISBN
  9789811592348
- Data Source
  KAKENHI-PLANNED-17H06353
[Book] Entropy-Enthalpy Compensation: Finding a Methodological Common Denominator through Probability, Statistics, and Physics2021
- Author(s)
  E. B. Starikov, B. Norden, S. Tanaka
- Total Pages
  398
- Publisher
  Jenny Stanford Publishing
- Data Source
  KAKENHI-PROJECT-18K03825
[Book] Entropy-Enthalpy Compensation: Finding a Methodological Common Denominator through Probability, Statistics, and Physics2021
- Author(s)
  E.B. Starikov, B. Norden, S. Tanaka
- Total Pages
  398
- Publisher
  Jenny Stanford Publishing
- ISBN
  9789814877305
- Data Source
  KAKENHI-PLANNED-17H06353
[Book] 計算分子生物学：物質科学からのアプローチ2018
- Author(s)
  田中成典
- Total Pages
  184
- Publisher
  内田老鶴圃
- ISBN
  9784753623136
- Data Source
  KAKENHI-PLANNED-17H06353
[Book] 計算分子生物学：物質科学からのアプローチ2018
- Author(s)
  田中成典
- Total Pages
  184
- Publisher
  内田老鶴圃
- ISBN
  9784753623136
- Data Source
  KAKENHI-PROJECT-18K03825
[Book] Recent Progress in Quantum Monte Carlo (ACS Symposium Series 1234)2016
- Author(s)
  S. Tanaka, P.-N. Roy, L. Mitas
- Total Pages
  173
- Publisher
  American Chemical Society
- Data Source
  KAKENHI-PROJECT-26460035
[Book] Advances in Quantum Monte Carlo2012
- Author(s)
  S. Tanaka, S.M. Rothstein, W.A. Lester, Jr.
- Total Pages
  230
- Publisher
  American Chemical Society
- Data Source
  KAKENHI-PROJECT-23540451
[Book] "Advances in Quantum Monte Carlo" (ACS Symposium Series 1094)2012
- Author(s)
  S. Tanaka, S.M. Rothstein, and W.A. Lester, Jr., ed
- Total Pages
  230
- Publisher
  American Chemical Society, Washington, DC
- Data Source
  KAKENHI-PROJECT-23540451
[Journal Article] Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit2023
- Author(s)
  C. Watanabe, S. Tanaka, Y. Okiyama, H. Yuki, T. Ohyama, K. Kamisaka, D. Takaya, K. Fukuzawa, and T. Honma
- Journal Title
  
  J. Phys. Chem. Lett.
  
  Volume: 14 Issue: 15 Pages: 3609-3620
- DOI
  10.1021/acs.jpclett.2c03768
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K06098
[Journal Article] Renormalization in Quantum Brain Dynamics2023
- Author(s)
  A. Nishiyama, S. Tanaka, and J.A. Tuszynski
- Journal Title
  
  AppliedMath
  
  Volume: 3 Issue: 1 Pages: 117-146
- DOI
  10.3390/appliedmath3010009
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K06098
[Journal Article] Non-Equilibrium Phi4 Theory in a Hierarchy: Towards Manipulating Holograms in Quantum Brain Dynamics2023
- Author(s)
  A. Nishiyama, S. Tanaka, and J.A. Tuszynski
- Journal Title
  
  Dynamics
  
  Volume: 3 Issue: 1 Pages: 1-17
- DOI
  10.3390/dynamics3010001
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K06098
[Journal Article] Thermal Conductivity and Conductance of Protein in Aqueous Solution: Effects of Geometrical Shape2023
- Author(s)
  I. Kurisaki, S. Tanaka, I. Mori, T. Umegaki, Y. Mori, and S. Tanaka
- Journal Title
  
  J. Comput. Chem.
  
  Volume: 44 Issue: 7 Pages: 857-868
- DOI
  10.1002/jcc.27048
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K06098, KAKENHI-PROJECT-21K06113
[Journal Article] Dynamical Free Energy Based Model for Quantum Decision Making2022
- Author(s)
  S. Tanaka, T. Umegaki, A. Nishiyama, and H. Kitoh-Nishioka
- Journal Title
  
  Physica A
  
  Volume: 605 Pages: 127979-127979
- DOI
  10.1016/j.physa.2022.127979
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K06098
[Journal Article] Quantum Brain Dynamics in 2 + 1 Dimensions: Non-Equilibrium Analysis towards Memory Formations2022
- Author(s)
  A. Nishiyama, S. Tanaka, and J.A. Tuszynski
- Journal Title
  
  Physica A
  
  Volume: 598 Pages: 127397-127397
- DOI
  10.1016/j.physa.2022.127397
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K06098
[Journal Article] Computational prediction of heteromeric protein complex disassembly order using hybrid Monte Carlo/molecular dynamics simulation2022
- Author(s)
  Kurisaki Ikuo、Tanaka Shigenori
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 24 Issue: 17 Pages: 10575-10587
- DOI
  10.1039/d2cp00267a
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-21K06098
[Journal Article] Thermal and Quantum Fluctuations of Harmonic Oscillator2022
- Author(s)
  S. Tanaka and Y. Komeiji
- Journal Title
  
  J. Phys. Chem. Res.
  
  Volume: 4 Issue: 3 Pages: 151-151
- DOI
  10.36266/jpcr/151
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K06098
[Journal Article] Protein-ligand binding affinity prediction of cyclin‐dependent kinase‐2 inhibitors by dynamically averaged fragment molecular orbital‐based interaction energy2022
- Author(s)
  Takaba Kenichiro、Watanabe Chiduru、Tokuhisa Atsushi、Akinaga Yoshinobu、Ma Biao、Kanada Ryo、Araki Mitsugu、Okuno Yasushi、Kawashima Yusuke、Moriwaki Hirotomo、Kawashita Norihito、Honma Teruki、Fukuzawa Kaori、Tanaka Shigenori
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 43 Issue: 20 Pages: 1362-1371
- DOI
  10.1002/jcc.26940
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K06098, KAKENHI-PROJECT-18K06615
[Journal Article] Remarked suppression of Aβ42 protomer-protomer dissociation reaction elucidated by molecular dynamics simulation2022
- Author(s)
  Kurisaki Ikuo、Tanaka Shigenori
- Journal Title
  
  Proteins: Structure, Function, and Bioinformatics
  
  Volume: 2022 Issue: 7 Pages: 1-9
- DOI
  10.1002/prot.26319
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-21K06098
[Journal Article] Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand2022
- Author(s)
  M. Fujii and S. Tanaka
- Journal Title
  
  Int. J. Mol. Sci.
  
  Volume: 23 Issue: 19 Pages: 11347-11347
- DOI
  10.3390/ijms231911347
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K06098
[Journal Article] Quantum Brain Dynamics and Holography2022
- Author(s)
  A. Nishiyama, S. Tanaka, and J.A. Tuszynski
- Journal Title
  
  Dynamics
  
  Volume: 2 Issue: 2 Pages: 187-218
- DOI
  10.3390/dynamics2020010
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K06098
[Journal Article] Fragment molecular orbital calculations containing Mg2+ ions: PPlase domain of Cyclophilin G2022
- Author(s)
 M. Fujii, C. Watanabe, K. Fukuzawa, and S. Tanaka
- Journal Title
 
 Chem-Bio Informatics Journal
 
 Volume: 22 Issue: 0 Pages: 55-62
- DOI
 10.1273/cbij.22.55
- ISSN
 1347-0442, 1347-6297
- Year and Date
 2022-09-16
- Language
 English
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PROJECT-21K06098
[Journal Article] Inhibition of Melittin Activity Using a Small Molecule with an Indole Ring2022
- Author(s)
  S. Kanemitsu, K. Morita, Y. Tominaga, K. Nishimura, T. Yashiro, H. Sakurai, Y. Yamamoto, I. Kurisaki, S. Tanaka, M. Matsui, T. Ooya, A. Tamura, and T. Maruyama
- Journal Title
  
  J. Phys. Chem. B
  
  Volume: 126 Issue: 31 Pages: 5793-5802
- DOI
  10.1021/acs.jpcb.2c03595
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K06098, KAKENHI-PROJECT-20H02542
[Journal Article] Dynamic Cooperativity of Ligand?Residue Interactions Evaluated with the Fragment Molecular Orbital Method2021
- Author(s)
  Tanaka Shigenori、Tokutomi Shusuke、Hatada Ryo、Okuwaki Koji、Akisawa Kazuki、Fukuzawa Kaori、Komeiji Yuto、Okiyama Yoshio、Mochizuki Yuji
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 125 Issue: 24 Pages: 6501-6512
- DOI
  10.1021/acs.jpcb.1c03043
- NAID
  120007170803
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K12010, KAKENHI-PLANNED-17H06353
[Journal Article] In silico modeling of PAX8-PPARγ fusion protein in thyroid carcinoma: influence of structural perturbation by fusion on ligand-binding affinity2021
- Author(s)
  Sakaguchi Kaori、Okiyama Yoshio、Tanaka Shigenori
- Journal Title
  
  Journal of Computer-Aided Molecular Design
  
  Volume: 35 Issue: 5 Pages: 629-642
- DOI
  10.1007/s10822-021-00381-x
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06353
[Journal Article] Collective residue interactions in trimer complexes of SARS-CoV-2 spike proteins analyzed by fragment molecular orbital method2021
- Author(s)
  Okuwaki Koji、Akisawa Kazuki、Hatada Ryo、Mochizuki Yuji、Fukuzawa Kaori、Komeiji Yuto、Tanaka Shigenori
- Journal Title
  
  Applied Physics Express
  
  Volume: 15 Issue: 1 Pages: 017001-017001
- DOI
  10.35848/1882-0786/ac4300
- NAID
  120007181729
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K12010, KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-21K06098
[Journal Article] Appearance of Thermal Time2021
- Author(s)
  Tanaka Shigenori
- Journal Title
  
  Foundations of Physics
  
  Volume: 51 Issue: 2 Pages: 34-34
- DOI
  10.1007/s10701-021-00445-w
- NAID
  120007026363
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-21K06098
[Journal Article] Density-Matrix Based Scheme of Basis Selection for Linear Combination of Fragment Molecular Orbitals2021
- Author(s)
  Okiyama Yoshio、Mochizuki Yuji、Yamanaka Masanori、Tanaka Shigenori
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 90 Issue: 6 Pages: 064301-064301
- DOI
  10.7566/jpsj.90.064301
- NAID
  40022591155
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-17H06353
[Journal Article] Elucidating microscopic events driven by GTP hydrolysis reaction in the Ras-GAP system with semi-reactive molecular dynamics simulations: the alternative role of a phosphate binding loop for mechanical energy storage2021
- Author(s)
  Kurisaki Ikuo、Tanaka Shigenori
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 23 Issue: 46 Pages: 26151-26164
- DOI
  10.1039/d1cp04061h
- NAID
  120007179185
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-21K06098
[Journal Article] Non-equilibrium Quantum Brain Dynamics II: Formulation in 3+1 dimensions2021
- Author(s)
  Nishiyama Akihiro、Tanaka Shigenori、Tuszynski Jack A.
- Journal Title
  
  Physica A: Statistical Mechanics and its Applications
  
  Volume: 567 Pages: 125706-125706
- DOI
  10.1016/j.physa.2020.125706
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-21K06098
[Journal Article] Fragment molecular orbital based interaction analyses on complexes between SARS-CoV-2 RBD variants and ACE22021
- Author(s)
  Akisawa Kazuki、Hatada Ryo、Okuwaki Koji、Kitahara Shun、Tachino Yusuke、Mochizuki Yuji、Komeiji Yuto、Tanaka Shigenori
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 60 Issue: 9 Pages: 090901-090901
- DOI
  10.35848/1347-4065/ac1857
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K12010, KAKENHI-PLANNED-17H06353
[Journal Article] Improvement of the Force Field for β-d-Glucose with Machine Learning2021
- Author(s)
  Ikejo Makoto、Watanabe Hirofumi、Shimamura Kohei、Tanaka Shigenori
- Journal Title
  
  Molecules
  
  Volume: 26 Issue: 21 Pages: 6691-6691
- DOI
  10.3390/molecules26216691
- NAID
  120007170798
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-21K06098
[Journal Article] FMODB: The World’s First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method2021
- Author(s)
  Daisuke Takaya, Chiduru Watanabe, Shunpei Nagase, Kikuko Kamisaka, Yoshio Okiyama, Hirotomo Moriwaki, Hitomi Yuki, Tomohiro Sato, Noriyuki Kurita, Yoichiro Yagi, Tatsuya Takagi, Norihito Kawashita, Kenichiro Takaba, Tomonaga Ozawa, Midori Takimoto-Kamimura, Shigenori Tanaka, Kaori Fukuzawa, and Teruki Honma
- Journal Title
  
  J. Chem. Inf. Model.
  
  Volume: 61 Issue: 2 Pages: 777-794
- DOI
  10.1021/acs.jcim.0c01062
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K06615, KAKENHI-PROJECT-18K03825, KAKENHI-PROJECT-18K06619, KAKENHI-PLANNED-17H06353
[Journal Article] Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses2021
- Author(s)
  Watanabe Chiduru、Okiyama Yoshio、Tanaka Shigenori、Fukuzawa Kaori、Honma Teruki
- Journal Title
  
  Chemical Science
  
  Volume: 12 Issue: 13 Pages: 4722-4739
- DOI
  10.1039/d0sc06528e
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Statistical interaction analyses between SARS-CoV-2 main protease and inhibitor N3 by combining molecular dynamics simulation and fragment molecular orbital calculation2021
- Author(s)
  Hatada Ryo、Okuwaki Koji、Akisawa Kazuki、Mochizuki Yuji、Handa Yuma、Fukuzawa Kaori、Komeiji Yuto、Okiyama Yoshio、Tanaka Shigenori
- Journal Title
  
  Applied Physics Express
  
  Volume: 14 Issue: 2 Pages: 027003-027003
- DOI
  10.35848/1882-0786/abdac6
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K12010, KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Reaction Pathway Sampling and Free-Energy Analyses for Multimeric Protein Complex Disassembly by Employing Hybrid Configuration Bias Monte Carlo/Molecular Dynamics Simulation2021
- Author(s)
  Kurisaki Ikuo、Tanaka Shigenori
- Journal Title
  
  ACS Omega
  
  Volume: 6 Issue: 7 Pages: 4749-4758
- DOI
  10.1021/acsomega.0c05579
- NAID
  120007026370
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations2021
- Author(s)
  Akisawa Kazuki、Hatada Ryo、Okuwaki Koji、Mochizuki Yuji、Fukuzawa Kaori、Komeiji Yuto、Tanaka Shigenori
- Journal Title
  
  RSC Advances
  
  Volume: 11 Issue: 6 Pages: 3272-3279
- DOI
  10.1039/d0ra09555a
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K12010, KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] New Modified Deoxythymine with Dibranched Tetraethylene Glycol Stabilizes G-quadruplex Structures2020
- Author(s)
  H. Tateishi-Karimata, T. Ohyama, T. Muraoka, S. Tanaka, K. Kinbara, and N. Sugimoto
- Journal Title
  
  Molecules
  
  Volume: 25 Issue: 3 Pages: 705-705
- DOI
  10.3390/molecules25030705
- NAID
  120006811187
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06351, KAKENHI-PLANNED-17H06353, KAKENHI-ORGANIZER-18H05418, KAKENHI-PROJECT-19H00928, KAKENHI-PROJECT-17K05941, KAKENHI-PROJECT-18K19152, KAKENHI-PLANNED-18H05419, KAKENHI-PROJECT-19H02831
[Journal Article] Effective Static Approximation: A Fast and Reliable Tool for Warm-Dense Matter Theory2020
- Author(s)
  Dornheim Tobias、Cangi Attila、Ramakrishna Kushal、B?hme Maximilian、Tanaka Shigenori、Vorberger Jan
- Journal Title
  
  Physical Review Letters
  
  Volume: 125 Issue: 23 Pages: 235001-235001
- DOI
  10.1103/physrevlett.125.235001
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Machine learning prediction of inter-fragment interaction energies between ligand and amino-acid residues on the fragment molecular orbital calculations for Janus kinase ? inhibitor complex2020
- Author(s)
  Tokutomi Shusuke、Shimamura Kohei、Fukuzawa Kaori、Tanaka Shigenori
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 757 Pages: 137883-137883
- DOI
  10.1016/j.cplett.2020.137883
- NAID
  120006890795
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Comparative study on model parameter evaluations for the energy transfer dynamics in Fenna?Matthews?Olson complex2020
- Author(s)
  Suzuki Yosuke、Watanabe Hirofumi、Okiyama Yoshio、Ebina Kuniyoshi、Tanaka Shigenori
- Journal Title
  
  Chemical Physics
  
  Volume: 539 Pages: 110903-110903
- DOI
  10.1016/j.chemphys.2020.110903
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Nanoscale Quantum Thermal Conductance at Water Interface: Green’s Function Approach Based on One-Dimensional Phonon Model2020
- Author(s)
  Umegaki Toshihito、Tanaka Shigenori
- Journal Title
  
  Molecules
  
  Volume: 25 Issue: 5 Pages: 1185-1185
- DOI
  10.3390/molecules25051185
- NAID
  120006844958
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K03825
[Journal Article] Temperature relaxation in binary hard-sphere mixture system: Molecular dynamics and kinetic theory study2020
- Author(s)
  Tanaka Shigenori、Shimamura Kohei
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 153 Issue: 3 Pages: 034114-034114
- DOI
  10.1063/5.0011181
- NAID
  120006879543
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Strongly Coupled Electron Liquid: Ab Initio Path Integral Monte Carlo Simulations and Dielectric Theories2020
- Author(s)
  T. Dornheim, T. Sjostrom, S. Tanaka, and J. Vorberger
- Journal Title
  
  Phys. Rev. B
  
  Volume: 101 Issue: 4 Pages: 045129-045129
- DOI
  10.1103/physrevb.101.045129
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Non-Equilibrium Quantum Electrodynamics in Open Systems as a Realizable Representation of Quantum Field Theory of the Brain2020
- Author(s)
  A. Nishiyama, S. Tanaka, and J.A. Tuszynski
- Journal Title
  
  Entropy
  
  Volume: 22 Issue: 1 Pages: 43-43
- DOI
  10.3390/e22010043
- NAID
  120006823996
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-18K03825
[Journal Article] Identification of correlated inter-residue interactions in protein complex based on the fragment molecular orbital method2020
- Author(s)
  Tanaka Shigenori、Watanabe Chiduru、Honma Teruki、Fukuzawa Kaori、Ohishi Kazue、Maruyama Tadashi
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 100 Pages: 107650-107650
- DOI
  10.1016/j.jmgm.2020.107650
- NAID
  120006890786
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease ? Inhibitor N3 Complex (PDB ID: 6LU7)2020
- Author(s)
  Hatada Ryo、Okuwaki Koji、Mochizuki Yuji、Handa Yuma、Fukuzawa Kaori、Komeiji Yuto、Okiyama Yoshio、Tanaka Shigenori
- Journal Title
  
  Journal of Chemical Information and Modeling
  
  Volume: 60 Issue: 7 Pages: 3593-3602
- DOI
  10.1021/acs.jcim.0c00283
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K12010, KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] ATP Converts Aβ42 Oligomer into Off-Pathway Species by Making Contact with Its Backbone Atoms Using Hydrophobic Adenosine2019
- Author(s)
  I. Kurisaki and S. Tanaka
- Journal Title
  
  J. Phys. Chem. B
  
  Volume: 123 Issue: 46 Pages: 9922-9933
- DOI
  10.1021/acs.jpcb.9b07984
- NAID
  120006775976
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: II. Protein and Its Ligand-Binding System Studies2019
- Author(s)
  Y. Okiyama, C. Watanabe, K. Fukuzawa, Y. Mochizuki, T. Nakano, S. Tanaka
- Journal Title
  
  J. Phys. Chem. B
  
  Volume: 123 Issue: 5 Pages: 957-973
- DOI
  10.1021/acs.jpcb.8b09326
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Ab Initio Molecular Dynamics Study of Prebiotic Production Processes of Organic Compounds at Meteorite Impacts on Ocean2019
- Author(s)
  K. Shimamura, F. Shimojo, A. Nakano, and S. Tanaka
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 40 Issue: 2 Pages: 349-359
- DOI
  10.1002/jcc.25606
- NAID
  120006734928
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05478, KAKENHI-PROJECT-16K17782, KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Non-Equilibrium Quantum Brain Dynamics: Super-Radiance and Equilibration in 2+1 Dimensions2019
- Author(s)
  A. Nishiyama, S. Tanaka, and J.A. Tuszynski
- Journal Title
  
  Entropy
  
  Volume: 21 Issue: 11 Pages: 1066-1066
- DOI
  10.3390/e21111066
- NAID
  120006777079
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Guidelines for Creating Artificial Neural Network Empirical Interatomic Potential from First-Principles Molecular Dynamics Data under Specific Conditions and Its Application to α-Ag2Se2019
- Author(s)
  K. Shimamura, S. Fukushima, A. Koura, F. Shimojo, M. Misawa, R.K. Kalia, A. Nakano, P. Vashishta, T. Matsubara, and S. Tanaka
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 151 Issue: 12 Pages: 124303-124303
- DOI
  10.1063/1.5116420
- NAID
  120006734929
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PROJECT-19K14676, KAKENHI-PLANNED-17H06353
[Journal Article] Development of an automated fragment molecular orbital (FMO) calculation protocol toward construction of quantum mechanical calculation database for large biomolecules 2019
- Author(s)
 Watanabe Chiduru、Watanabe Hirofumi、Okiyama Yoshio、Takaya Daisuke、Fukuzawa Kaori、Tanaka Shigenori、Honma Teruki
- Journal Title
 
 Chem-Bio Informatics Journal
 
 Volume: 19 Issue: 0 Pages: 5-18
- DOI
 10.1273/cbij.19.5
- NAID
 130007618360
- ISSN
 1347-0442, 1347-6297
- Year and Date
 2019-03-22
- Language
 English
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PROJECT-18K06619, KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson?Boltzmann Equation: Implementation and DNA Study2018
- Author(s)
  Okiyama Yoshio、Nakano Tatsuya、Watanabe Chiduru、Fukuzawa Kaori、Mochizuki Yuji、Tanaka Shigenori
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 122 Issue: 16 Pages: 4457-4471
- DOI
  10.1021/acs.jpcb.8b01172
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05397, KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Pursuing origins of (poly)ethylene glycol-induced G-quadruplex structural modulations2018
- Author(s)
  M. Trajkovski, T. Endoh, H. Tateishi-Karimata, T. Ohyama, S. Tanaka, J. Plavec, N. Sugimoto
- Journal Title
  
  Nucleic Acids Research
  
  Volume: 46 Issue: 8 Pages: 4301-4315
- DOI
  10.1093/nar/gky250
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K05941, KAKENHI-PROJECT-18K03825, KAKENHI-PROJECT-18K19152, KAKENHI-PLANNED-17H06351, KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-16H02283
[Journal Article] Computational Analysis of the Interaction Energies between Amino Acid Residues of the Measles Virus Hemagglutinin and Its Receptors2018
- Author(s)
  F. Xu, S. Tanaka, H. Watanabe, Y. Shimane, M. Iwasawa, K. Ohishi, T. Maruyama
- Journal Title
  
  Viruses
  
  Volume: 10 Issue: 5 Pages: 236-236
- DOI
  10.3390/v10050236
- NAID
  120006488447
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Towards Good Correlation between Fragment Molecular Orbital Interaction Energies and Experimental IC50 for Ligand Binding: A Case Study of p38 MAP Kinase2018
- Author(s)
  Y. Sheng, H. Watanabe, K. Maruyama, C. Watanabe, Y. Okiyama, T. Honma, K. Fukuzawa, S. Tanaka
- Journal Title
  
  Comput. Struct. Biotech. J.
  
  Volume: 16 Pages: 421-434
- DOI
  10.1016/j.csbj.2018.10.003
- NAID
  120006549198
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Application of singular value decomposition to the inter-fragment interaction energy analysis for ligand screening2018
- Author(s)
  Maruyama Keiya、Sheng Yinglei、Watanabe Hirofumi、Fukuzawa Kaori、Tanaka Shigenori
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1132 Pages: 23-34
- DOI
  10.1016/j.comptc.2018.04.001
- NAID
  120006482609
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05397, KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Meteorite impacts on ancient oceans opened up multiple NH3 production pathways2017
- Author(s)
  Kohei Shimamura, Fuyuki Shimojo, Aiichiro Nakano, and Shigenori Tanaka
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 印刷中 Issue: 18 Pages: 11655-11667
- DOI
  10.1039/c7cp00870h
- NAID
  120006318803
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17782, KAKENHI-PROJECT-16K05478, KAKENHI-PLANNED-17H06353
[Journal Article] Newly characterized interaction stabilizes DNA structure: oligoethylene glycols stabilize G-quadruplexes CH?π interactions2017
- Author(s)
  Tateishi-Karimata Hisae、Ohyama Tatsuya、Muraoka Takahiro、Podbevsek Peter、Wawro Adam M.、Tanaka Shigenori、Nakano Shu-ichi、Kinbara Kazushi、Plavec Janez、Sugimoto Naoki
- Journal Title
  
  Nucleic Acids Research
  
  Volume: 45 Issue: 12 Pages: 7021-7030
- DOI
  10.1093/nar/gkx299
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K05941, KAKENHI-PROJECT-26410170, KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-16H02283, KAKENHI-PROJECT-17H04885, KAKENHI-PROJECT-16H04129
[Journal Article] An Effective Microscopic Index Associated with Cell Survival and DNA Lesions for Estimating Radiation Risk2017
- Author(s)
  K. Yoshinari, S. Tanaka, K. Ebina
- Journal Title
  
  J. Environ. Health Sci.
  
  Volume: 3 Issue: 1 Pages: 1-5
- DOI
  10.15436/2378-6841.17.1187
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-26460035, KAKENHI-PLANNED-17H06353
[Journal Article] Theoretical Analysis of Activity Cliffs among Benzofuranone Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach2017
- Author(s)
  C. Watanabe, H. Watanabe, K. Fukuzawa, L. Parker, Y. Okiyama, H. Yuki, S. Yokoyama, H. Nakano, S. Tanaka, T. Honma
- Journal Title
  
  J. Chem. Inf. Model.
  
  Volume: 57 Issue: 12 Pages: 2996-3010
- DOI
  10.1021/acs.jcim.7b00110
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06353, KAKENHI-PROJECT-15K05397
[Journal Article] Information Geometrical Characterization of the Onsager-Machlup Process2017
- Author(s)
  S. Tanaka
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 689 Pages: 152-155
- DOI
  10.1016/j.cplett.2017.10.005
- NAID
  120006375911
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06353
[Journal Article] Structural transition of solvated H-Ras/GTP revealed by molecular dynamics simulation and local network entropy2017
- Author(s)
  Matsunaga Shota、Hano Yuta、Saito Yuta、Fujimoto Kazuhiro J.、Kumasaka Takashi、Matsumoto Shigeyuki、Kataoka Tohru、Shima Fumi、Tanaka Shigenori
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 77 Pages: 51-63
- DOI
  10.1016/j.jmgm.2017.07.028
- NAID
  120006406708
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K15106, KAKENHI-PLANNED-17H06353
[Journal Article] Improved Equation of State for Finite-Temperature Spin-Polarized Electron Liquids on the Basis of Singwi-Tosi-Land-Sjolander Approximation2017
- Author(s)
  S. Tanaka
- Journal Title
  
  Contrib. Plasma Phys.
  
  Volume: 57 Issue: 3 Pages: 126-136
- DOI
  10.1002/ctpp.201600096
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035, KAKENHI-PLANNED-17H06353
[Journal Article] FMO創薬を加速する大規模データ解析2017
- Author(s)
  田中成典、福澤薫、本間光貴
- Journal Title
  
  CICSJ Bulletin
  
  Volume: 35 Issue: 3 Pages: 205
- DOI
  10.11546/cicsj.35.205
- NAID
  130006792848
- ISSN
  0913-3747, 1347-2283
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15K05397
[Journal Article] Cosolvent-Based Molecular Dynamics for Ensemble Docking: Practical Method for Generating Druggable Protein Conformations2017
- Author(s)
  S. Uehara, S. Tanaka
- Journal Title
  
  J. Chem. Inf. Model.
  
  Volume: 57 Issue: 4 Pages: 742-756
- DOI
  10.1021/acs.jcim.6b00791
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035, KAKENHI-PLANNED-17H06353
[Journal Article] Four-Electron Model for Singlet and Triplet Excitation Energy Transfers with Inclusion of Coherence Memory, Inelastic Tunneling and Nuclear Quantum Effects2016
- Author(s)
  Y. Suzuki, K. Ebina, S. Tanaka
- Journal Title
  
  Chem. Phys.
  
  Volume: 474 Pages: 18-24
- DOI
  10.1016/j.chemphys.2016.05.001
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Local thermodynamics of the water molecules around single- and double-stranded DNA studied by grid inhomogeneous solvation theory2016
- Author(s)
  Nakano M, Tateishi-Karimata H, Tanaka S, Tama F, Miyashita O, Nakano S, and Sugimoto N
- Journal Title
  
  CHEMICAL PHYSICS LETTERS
  
  Volume: 660 Pages: 250-255
- DOI
  10.1016/j.cplett.2016.08.032
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-26119006, KAKENHI-PROJECT-16H02283, KAKENHI-PROJECT-26460035, KAKENHI-PROJECT-26810094
[Journal Article] Meteorite Impact-Induced Rapid NH3 Production on Early Earth: Ab Initio Molecular Dynamics Simulation2016
- Author(s)
  K. Shimamura, F. Shimojo, A. Nakano, S. Tanaka
- Journal Title
  
  Sci. Rep.
  
  Volume: 6 Issue: 1 Pages: 38953-38953
- DOI
  10.1038/srep38953
- NAID
  120005950966
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460035, KAKENHI-PROJECT-16K05478, KAKENHI-PROJECT-16K17782
[Journal Article] Diffusion Monte Carlo Study on Temporal Evolution of Entropy and Free Energy in Nonequilibrium Processes2016
- Author(s)
  S. Tanaka
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 144 Issue: 9 Pages: 094103-094103
- DOI
  10.1063/1.4942861
- NAID
  120005842522
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Reduced Minimum Model for the Photosynthetic Induction Processes in Photosystem I2016
- Author(s)
  T. Matsuoka, S. Tanaka, K. Ebina
- Journal Title
  
  J. Photochem. Photobiol. B: Biology
  
  Volume: 160 Pages: 364-375
- DOI
  10.1016/j.jphotobiol.2016.04.009
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Correlational and Thermodynamic Properties of Finite-Temperature Electron Liquids in the Hypernetted-Chain Approximation2016
- Author(s)
  S. Tanaka
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 145 Issue: 21 Pages: 214104-214104
- DOI
  10.1063/1.4969071
- NAID
  120005970764
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] AutoDock-GIST: Incorporating Thermodynamics of Active-Site Water into Scoring Function for Accurate Protein-Ligand Docking2016
- Author(s)
  S. Uehara, S. Tanaka
- Journal Title
  
  Molecules
  
  Volume: 21 Issue: 11 Pages: 1604-1604
- DOI
  10.3390/molecules21111604
- NAID
  120005950958
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Thermodynamic Properties of Water Molecules in the Presence of Cosolute Depend on DNA Structure: A Study Using Grid Inhomogeneous Solvation Theory2015
- Author(s)
  M. Nakano, H. Tateishi-Karimata, S. Tanaka, F. Tama, O. Miyashita, S. Nakano, N. Sugimoto
- Journal Title
  
  Nucl. Acids Res.
  
  Volume: 43 Pages: 10114-10125
- DOI
  10.1093/nar/gkv1133
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-26460035, KAKENHI-PROJECT-26810094, KAKENHI-PLANNED-26119006, KAKENHI-PROJECT-26620138
[Journal Article] Theoretical prediction and experimental verification on enantioselectivity of haloacid dehalogenase L-DEX YL with chloropropionate2015
- Author(s)
  Hirotaka Kondo, Kazuhiro J. Fujimoto, Shigenori Tanaka, Hiroyuki Deki, and Takashi Nakamura
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 623 Pages: 101-107
- DOI
  10.1016/j.cplett.2015.01.053
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-25810004, KAKENHI-PROJECT-26460035
[Journal Article] Explicit Solvation Modulates Intra- and Inter-Molecular Interactions within DNA: Electronic Aspects Revealed by the Ab Initio Fragment Molecular Orbital (FMO) Method2015
- Author(s)
  K. Fukuzawa, I. Kurisaki, C. Watanabe, Y. Okiyama, Y. Mochizuki, S. Tanaka, Y. Komeiji
- Journal Title
  
  Comput. Theor. Chem.
  
  Volume: 1054 Pages: 29-37
- DOI
  10.1016/j.comptc.2014.11.020
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Protein-Ligand Docking Using Fitness Learning-Based Artificial Bee Colony with Proximity Stimuli2015
- Author(s)
  S. Uehara, K. J. Fujimoto, S. Tanaka
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 17 Issue: 25 Pages: 16412-16417
- DOI
  10.1039/c5cp01394a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Novel Type of Virtual Ligand Screening on the Basis of Quantum-Chemical Calculations for Protein-Ligand Complexes and Extended Clustering Techniques2015
- Author(s)
  R. Kurauchi, C. Watanabe, K. Fukuzawa, S. Tanaka
- Journal Title
  
  Comput. Theor. Chem.
  
  Volume: 1061 Pages: 12-22
- DOI
  10.1016/j.comptc.2015.02.016
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] i-Motifs Are More Stable than G-Quadruplexes in a Hydrated Ionic Liquid2015
- Author(s)
  H. Tateishi-Karimata, M. Nakano, S. Pramanik, S. Tanaka, N. Sugimoto
- Journal Title
  
  Chem. Commun.
  
  Volume: 51 Issue: 32 Pages: 6909-6912
- DOI
  10.1039/c5cc00666j
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460035, KAKENHI-PROJECT-26810094, KAKENHI-PROJECT-26620138
[Journal Article] Systems Approach to Excitation-Energy and Electron Transfer Reaction Networks in Photosystem II Complex: Model Studies for Chlorophyll a Fluorescence Induction Kinetics2015
- Author(s)
  T. Matsuoka, S. Tanaka, K. Ebina
- Journal Title
  
  J. Theor. Biol.
  
  Volume: 380 Pages: 220-237
- DOI
  10.1016/j.jtbi.2015.05.006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Effects of Bridge Functions on Radial Distribution Functions of Liquid Water2015
- Author(s)
  S. Tanaka, M. Nakano
- Journal Title
  
  Interdiscip. Sci. Comput. Life Sci.
  
  Volume: 7 Issue: 2 Pages: 152-156
- DOI
  10.1007/s12539-015-0013-2
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Classical Density Functional Calculation of Radial Distribution Functions of Liquid Water2014
- Author(s)
  S. Tanaka and M. Nakano
- Journal Title
  
  Chem. Phys
  
  Volume: 430 Pages: 18-22
- DOI
  10.1016/j.chemphys.2013.12.007
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23540451, KAKENHI-PROJECT-26460035
[Journal Article] Interaction Energy Analysis on Specific Binding of Influenza Virus Hemagglutinin to Avian and Human Sialosaccharide Receptors: Importance of Mutation-Induced Structural Change2014
- Author(s)
  S. Anzaki, C. Watanabe, K. Fukuzawa, Y. Mochizuki, S. Tanaka
- Journal Title
  
  J. Mol. Graph. Model.
  
  Volume: 53 Pages: 48-58
- DOI
  10.1016/j.jmgm.2014.07.004
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Charge Clamps of Lysines and Hydrogen Bonds Play Key Roles in the Mechanism to Fix Helix 12 in the Agonist and Antagonist Positions of Estrogen Receptor α: Intramolecular Interactions Studied by the Ab Initio Fragment Molecular Orbital Method2014
- Author(s)
  C. Watanabe, K. Fukuzawa, S. Tanaka, and S. Aida-Hyugaji
- Journal Title
  
  J. Phys. Chem
  
  Volume: B118 Issue: 19 Pages: 4993-5008
- DOI
  10.1021/jp411627y
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23540451, KAKENHI-PROJECT-26460035
[Journal Article] Choline Ion Interactions with DNA Atoms Explain Unique Stabilization of A-T Base Pairs in DNA Duplexes: A Microscopic View2014
- Author(s)
  M. Nakano, H. Tateishi-Karimata, S. Tanaka, N. Sugimoto
- Journal Title
  
  J. Phys. Chem. B
  
  Volume: 118 Issue: 2 Pages: 379-389
- DOI
  10.1021/jp406647b
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23540451, KAKENHI-PROJECT-24245033, KAKENHI-PROJECT-24655161, KAKENHI-PROJECT-24750168, KAKENHI-PROJECT-26460035
[Journal Article] The affinity of molecular ions for DNA structures is determined by solvent accessible surface area2014
- Author(s)
  M. Nakano, H. Tateishi-Karimata, S. Tanaka, and N. Sugimoto
- Journal Title
  
  J. Phys. Chem. B
  
  Volume: 118 Issue: 32 Pages: 9583-9594
- DOI
  10.1021/jp505107g
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24245033, KAKENHI-PROJECT-26460035, KAKENHI-PROJECT-26620138, KAKENHI-PROJECT-26810094
[Journal Article] Accuracy of the Fragment Molecular Orbital (FMO) Calculations for DNA: Total Energy, Molecular Orbital, and Inter-Fragment Interaction Energy2014
- Author(s)
  K. Fukuzawa, C. Watanabe, I. Kurisaki, N. Taguchi, Y. Mochizuki, T. Nakano, S. Tanaka, Y. Komeiji
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1034 Pages: 7-16
- DOI
  10.1016/j.comptc.2014.02.002
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023, KAKENHI-PROJECT-23540451, KAKENHI-PROJECT-26460035
[Journal Article] Electron- Correlated Fragment-Molecular-Orbital Calculations for Biomolecular and Nano Systems2014
- Author(s)
  S. Tanaka, Y. Mochizuki, Y. Komeiji, Y. Okiyama, K. Fukuzawa
- Journal Title
  
  Phys. Chem. Chem. Phys
  
  Volume: 16 Issue: 22 Pages: 10310-10344
- DOI
  10.1039/c4cp00316k
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023, KAKENHI-PROJECT-23540451, KAKENHI-PROJECT-26460035
[Journal Article] Hierarchical Coarse-Graining Model for Photosystem II Including Electron and Excitation-Energy Transfer Processes2014
- Author(s)
  T. Matsuoka, S. Tanaka, K. Ebina
- Journal Title
  
  BioSystems
  
  Volume: 117 Pages: 15-29
- DOI
  10.1016/j.biosystems.2013.12.008
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] A Significant Role of Arg41 Residue in the Enzymatic Reaction of Haloacid Dehalogenase L-DEX YL Studied by QM/MM Method2014
- Author(s)
  H. Kondo, T. Nakamura, S. Tanaka
- Journal Title
  
  J. Mol. Catal. B
  
  Volume: 110 Pages: 23-31
- DOI
  10.1016/j.molcatb.2014.09.006
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460035
[Journal Article] Statistical Correction to Effective Interactions in the Fragment Molecular Orbital Method2013
- Author(s)
  S. Tanaka, C. Watanabe, and Y. Okiyama
- Journal Title
  
  Chem. Phys. Lett
  
  Volume: 556 Pages: 272-277
- DOI
  10.1016/j.cplett.2012.11.085
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23540451
[Journal Article] Triplet Correlations and Bridge Functions in Classical Density Functional Theory for Liquid Water2013
- Author(s)
  S. Tanaka and M. Nakano
- Journal Title
  
  Chem. Phys. Lett
  
  Volume: 572 Pages: 38-43
- DOI
  10.1016/j.cplett.2013.04.005
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23540451
[Journal Article] Modeling of peptide - silica interaction based on four-body corrected fragment molecular orbital (FMO4) calculations2013
- Author(s)
  Y. Okiyama
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 566 Pages: 25-31
- DOI
  10.1016/j.cplett.2013.02.020
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023, KAKENHI-PROJECT-23540451
[Journal Article] Three- and Four-body Corrected Fragment Molecular Orbital Calculations with a Novel Subdividing Fragmentation Method Applicable to Structure-Based Drug Design2013
- Author(s)
  C. Watanabe, K. Fukuzawa, Y. Okiyama, T. Tsukamoto, A. Kato, S. Tanaka, Y. Mochizuki, T. Nakano
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 41 Pages: 31-42
- DOI
  10.1016/j.jmgm.2013.01.006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023, KAKENHI-PROJECT-23540451
[Journal Article] Variational Quantum Monte Carlo with Inclusion of Orbital Correlations2013
- Author(s)
  S. Tanaka
- Journal Title
  
  J. Phys. Soc. Jpn
  
  Volume: 82 Issue: 7 Pages: 75001-75001
- DOI
  10.7566/jpsj.82.075001
- NAID
  210000132670
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23540451
[Journal Article] Development of the Four-Body Corrected Fragment Molecular Orbital (FMO4) Method2012
- Author(s)
  T.Nakano, Y.Mochizuki, K.Yamashita, C.Watanabe, K.Fukuzawa, K.Segawa, Y.Okiyama, T.Tsukamoto, S.Tanaka
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 523 Pages: 128-133
- DOI
  10.1016/j.cplett.2011.12.004
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023, KAKENHI-PROJECT-23540451
[Journal Article] Ab initio path integral Monte Carlo simulations for water trimer with electron correlation effects2012
- Author(s)
  T. Fujita
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 997 Pages: 7-13
- DOI
  10.1016/j.comptc.2012.07.029
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023, KAKENHI-PROJECT-23540451
[Journal Article] 量子モンテカルロ法による分子系のシミュレーション2011
- Author(s)
  田中成典
- Journal Title
  
  信学技報 IEICE Technical Report
  
  Volume: 111, No. 255 Pages: 47-48
- NAID
  110008900034
- Data Source
  KAKENHI-PROJECT-23540451
[Journal Article] Fragment Molecular Orbital Calculations under Periodic Boundary Condition2011
- Author(s)
  T. Fujita, T. Nakano, S. Tanaka
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 506 Issue: 1-3 Pages: 112-116
- DOI
  10.1016/j.cplett.2011.02.055
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23540451
[Journal Article] Charge transfer through double-strand DNA and its base-mismatched ones : theoretical analysis based on semiempirical molecular orbital calculations2005
- Author(s)
  Natsume, T., Dedachi, K., Tanaka, S., Higuchi, T.Kurita, N.
- Journal Title
  
  Chemical Physics Letters 408
  
  Pages: 381-388
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Investigation of a Kubo-formula-based approach to estimate DNA conductance in an atomistic model2005
- Author(s)
  Starikov, E., Tanaka, S., Kurita, N., Sengoku, Y., Natsume, T., Wenzel, W.
- Journal Title
  
  The European Physical Journal E 18
  
  Pages: 437-445
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Charge Transfer through Double-strand DNA and its Base-mismatched Ones : Theoretical Analysis Based on Semiempirical Molecular Orbital Calculations2005
- Author(s)
  Natsume, T., Dedachi, K., Tanaka, S., Higuchi, T., Kurita, N.
- Journal Title
  
  Chemical Physics Letters 408
  
  Pages: 381-388
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] 密度汎関数法に基づくフラグメント分子軌道法を用いたDNA電子状態計算2004
- Author(s)
  仙石康雄, 松岡誠, 杉木真一郎, 田中成典, 栗田典之, 関野秀男
- Journal Title
  
  J. Comput. Aided Chem. 5
  
  Pages: 1-8
- NAID
  130004428053
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] 1重鎖及び2重鎖DNAの電流電圧特性の理論的解析2004
- Author(s)
  出立兼一, 夏目貴行, 田中成典, 樋口高年, 栗田典之
- Journal Title
  
  J. Comput. Aided Chem. 5
  
  Pages: 52-61
- NAID
  130004428057
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] DFT-FMO calculations on electronic states of DNA2004
- Author(s)
  Sengoku, Y., Matsuoka, M., Sugiki, S., Tanaka, S., Kurita, N., Sekino, H.
- Journal Title
  
  J.Comput.Aided Chem. 5
  
  Pages: 1-8
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Charge transfer through single and double-strabd DNAs : theoretical analysis based on molecular orbital calculations2004
- Author(s)
  Dedachi, K., Natsume, T., Tanaka, S., Higuchi, T., Kurita, N.
- Journal Title
  
  J.Comput.Aided Chem. 5
  
  Pages: 52-61
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] DNA鎖の第一原理計算の現状と将来2003
- Author(s)
  田中成典, 福澤薫, 中野達也, 栗田典之
- Journal Title
  
  表面科学 24
  
  Pages: 664-670
- NAID
  10012433680
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Charge Transfer in Duplex DNA Containing Mismatch2003
- Author(s)
  Okada, A., Yokojima, S., Kurita, N., Sengoku, Y., Tanaka, S.
- Journal Title
  
  Journal of Molecular Structure 630
  
  Pages: 283-290
- Data Source
  KAKENHI-PROJECT-15310088
[Journal Article] Hydrogen Bonding of DNA Base Pairs by Consistent Charge Equilibration Method Combined with Universal Force Field2003
- Author(s)
  Ogawa, T., Kurita, N., Sekino, H., Kitao, O., Tanaka, S.
- Journal Title
  
  Chemical Physics Letters 374
  
  Pages: 271-278
- Data Source
  KAKENHI-PROJECT-15310088
[Presentation] 量子散逸系に対する準古典マッピング動力学法の精度検証2023
- Author(s)
  鬼頭宏任、梅垣俊仁、西山陽大、田中成典
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-21K06098
[Presentation] Quantum Brain Dynamics and Holography2022
- Author(s)
  Akihiro Nishiyama, Shigenori Tanaka, Jack A. Tuszynski
- Organizer
  The Science of Consciousness 2022
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K06098
[Presentation] Dynamical Association/Dissociation Processes of Biomolecules in Crowding Conditions2022
- Author(s)
  Shigenori Tanaka
- Organizer
  2nd International Symposium on Chemistry for Multimolecular Crowding Biosystems (CMCB2022)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] Dynamical Association/Dissociation Processes of Biomolecules in Crowding Conditions2022
- Author(s)
  Shigenori Tanaka
- Organizer
  2nd International Symposium on Chemistry for Multimolecular Crowding Biosystems (CMCB2022)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K06098
[Presentation] 量子意思決定の自由エネルギーモデル2022
- Author(s)
  田中成典、梅垣俊仁、西山陽大、鬼頭宏任
- Organizer
  量子生命科学会第4回大会
- Data Source
  KAKENHI-PROJECT-21K06098
[Presentation] 量子認知と意思決定の自由エネルギー理論2022
- Author(s)
  田中成典
- Organizer
  CBI学会2022年大会
- Invited
- Data Source
  KAKENHI-PROJECT-21K06098
[Presentation] Non-equilibrium φ4 Theory in a Hierarchy: Towards Manipulating Holograms in Quantum Brain Dynamics2022
- Author(s)
  Akihiro Nishiyama, Shigenori Tanaka, Jack A. Tuszynski
- Organizer
  The 5th International Forum on Quantum Metrology and Sensing
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K06098
[Presentation] Fragment Molecular Orbital Calculations for SARS-CoV-2 Proteins2021
- Author(s)
  Shigenori Tanaka
- Organizer
  The 3rd R-CCS International Symposium
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] Fragment Molecular Orbital Calculations for SARS-CoV-2 Proteins2021
- Author(s)
  Shigenori Tanaka
- Organizer
  The 3rd R-CCS International Symposium
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] ナノ空間での熱伝導・温度緩和：温度生物学の基礎として2020
- Author(s)
  田中成典
- Organizer
  Biothermology Workshop 2020
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] ナノ空間での熱伝導・温度緩和：温度生物学の基礎として2020
- Author(s)
  田中成典
- Organizer
  Biothermology Workshop 2020
- Invited
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] FMOデータベースの情報科学的な活用2019
- Author(s)
  田中成典
- Organizer
  日本薬学会第139年会
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] Quantum Brain Dynamics from a Viewpoint of Field Theory2019
- Author(s)
  S. Tanaka and A. Nishiyama
- Organizer
  The 2nd Workshop on Quantum Cognition
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] Perspectives of Computational Drug Discovery: AMED-BINDS Activities in Japan2019
- Author(s)
  S. Tanaka
- Organizer
  AHeDD2019/IPAB2019 Joint Symposium
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] 多体問題と生命2019
- Author(s)
  田中成典
- Organizer
  研究会「計算生命科学：多体問題から生命システムへ」
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] FMOデータベースの情報科学的な活用2019
- Author(s)
  田中成典
- Organizer
  日本薬学会第139年会
- Invited
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] 生命と量子2019
- Author(s)
  田中成典
- Organizer
  JST-CREST「生命動態の理解と制御のための基盤技術の創出」研究領域・第12回数理デザイン道場
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] Perspectives of Computational Drug Discovery: AMED-BINDS Activities in Japan2019
- Author(s)
  S. Tanaka
- Organizer
  AHeDD2019/IPAB2019 Joint Symposium
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] 多体問題と生命2019
- Author(s)
  田中成典
- Organizer
  研究会「計算生命科学：多体問題から生命システムへ」
- Invited
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] 生命と量子2019
- Author(s)
  田中成典
- Organizer
  JST-CREST「生命動態の理解と制御のための基盤技術の創出」研究領域・第12回数理デザイン道場
- Invited
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] Quantum Brain Dynamics from a Viewpoint of Field Theory2019
- Author(s)
  S. Tanaka and A. Nishiyama
- Organizer
  The 2nd Workshop on Quantum Cognition
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] ハロ酸デハロゲナーゼL-DEX YLの触媒する脱ハロゲン化反応の量子化学計算による反応経路特定2019
- Author(s)
  田中　悠介、中村　卓、近藤　洋隆、渡邉　博文、田中　成典
- Organizer
  日本化学会　第99春季年会
- Data Source
  KAKENHI-PROJECT-16KT0166
[Presentation] ライフサイエンスと量子コンピューティング2018
- Author(s)
  田中成典
- Organizer
  第25回バイオメディカル研究会
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] インシリコ創薬の展望2018
- Author(s)
  田中成典
- Organizer
  第56回日本生物物理学会年会
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] ライフサイエンスと量子コンピューティング2018
- Author(s)
  田中成典
- Organizer
  第25回バイオメディカル研究会
- Invited
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] BINDSインシリコユニットの紹介2018
- Author(s)
  田中成典
- Organizer
  CBI学会2018年大会
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] QM/MM法によるハロ酸脱ハロゲン化酵素L-DEX YLのフルオロ酢酸分解反応の機構解析2018
- Author(s)
  中村　卓、近藤　洋隆、渡邉　博文、田中　成典
- Organizer
  日本化学会　第12回バイオ関連化学シンポジウム
- Data Source
  KAKENHI-PROJECT-16KT0166
[Presentation] インシリコ創薬の展望2018
- Author(s)
  田中成典
- Organizer
  第56回日本生物物理学会年会
- Invited
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] BINDSインシリコユニットの紹介2018
- Author(s)
  田中成典
- Organizer
  CBI学会2018年大会
- Invited
- Data Source
  KAKENHI-PROJECT-18K03825
[Presentation] 量子生命科学の展望2017
- Author(s)
  田中成典
- Organizer
  第1回量子生命科学研究会
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] 水溶液中の生体分子の構造変化に伴う自由エネルギー解析2017
- Author(s)
  田中成典
- Organizer
  FIBER未来大学・第2回研究成果報告会
- Place of Presentation
  甲南大学（兵庫県・神戸市）
- Year and Date
  2017-01-10
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] 量子生命科学の展望2017
- Author(s)
  田中成典
- Organizer
  科学基礎論学会2017年度秋の研究例会シンポジウム「生命科学および認知科学における量子論的アプローチ」
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] バイオシミュレーションにおける分子夾雑効果2017
- Author(s)
  田中成典
- Organizer
  日本化学会第97春季年会・特別企画「分子夾雑の生命化学」
- Invited
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] バイオシミュレーションにおける分子夾雑効果2017
- Author(s)
  田中成典
- Organizer
  日本化学会第97春季年会・特別企画「分子夾雑の生命化学」
- Place of Presentation
  慶応義塾大学（神奈川県・横浜市）
- Year and Date
  2017-03-16
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] Charge and Energy Transfer Dynamics in Biological Systems2017
- Author(s)
  S. Tanaka
- Organizer
  1st QST International Symposium “Quantum Life Science”
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06353
[Presentation] 水和生体分子系の熱力学2017
- Author(s)
  田中成典
- Organizer
  公開シンポジウム「気候変動の中での（植物）生態系へのマクロ、ミクロからの考察：光合成、植物進化までを視座に置いて」
- Place of Presentation
  酪農学園大学（北海道・江別市）
- Year and Date
  2017-02-20
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] 量子生命科学の展望2017
- Author(s)
  田中成典
- Organizer
  第1回量子生命科学研究会
- Place of Presentation
  東京大学山上会館（東京都・文京区）
- Year and Date
  2017-04-12
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] Theoretical Study on Dynamics and Functions of Solvated Biomolecules2016
- Author(s)
  S. Tanaka
- Organizer
  FIBER Future College: FIBER国際核酸サミット2016
- Place of Presentation
  甲南大学（兵庫県・神戸市）
- Year and Date
  2016-07-06
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] 機械学習を援用したUbiquitin のアミノ酸残基間の相互作用解析2016
- Author(s)
  望月祐志，藤本真悠，古明地勇人，飯島潤，齊藤天菜，土居英男，奥沢明，牧村健，中西貴哉，福澤薫，田中成典
- Organizer
  第77回応用物理学会秋季学術講演会
- Place of Presentation
  新潟
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-15K05397
[Presentation] Singular Value Decomposition in the FMO-IFIE Analysis for Ligand Screening2016
- Author(s)
  Keiya Maruyama, Yinglei Sheng, Hirofumi Watanabe, Kaori Fukuzawa, Shigenori Tanaka
- Organizer
  CBI学会2016年次大会
- Place of Presentation
  東京
- Year and Date
  2016-10-25
- Data Source
  KAKENHI-PROJECT-15K05397
[Presentation] タンパク質の量子化学計算の現状2015
- Author(s)
  田中成典
- Organizer
  第15回日本蛋白質科学会年会
- Place of Presentation
  あわぎんホール（徳島県・徳島市）
- Year and Date
  2015-06-24
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] 大規模シミュレーションによる生体分子機能デザインの試み2015
- Author(s)
  田中成典
- Organizer
  甲南大学先端生命工学研究所（FIBER）私立大学研究基盤形成支援事業第1回研究成果報告会（FIBER未来大学シリーズ Series 10）
- Place of Presentation
  甲南大学（兵庫県神戸市）
- Year and Date
  2015-01-07
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] フラグメント分子軌道法に基づくアカデミア創薬2015
- Author(s)
  田中成典
- Organizer
  CBI学会2015年大会
- Place of Presentation
  タワーホール船堀（東京都・江東区）
- Year and Date
  2015-10-28
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] Nonequilibrium Processes in Biomolecular Systems2015
- Author(s)
  S. Tanaka
- Organizer
  Workshop on "Current Topics in Nano Simulations" (CT-NanoSim2015)
- Place of Presentation
  Tsukuba University (Ibaraki, Tsukuba)
- Year and Date
  2015-09-17
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] 生体分子ダイナミクスにおける階層性と粗視化2015
- Author(s)
  田中成典
- Organizer
  神戸大学先端融合科学シンポジウム「生体分子のダイナミクスを眺める」
- Place of Presentation
  神戸大学（兵庫県神戸市）
- Year and Date
  2015-01-20
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] 生体分子系における非平衡過程2015
- Author(s)
  田中成典
- Organizer
  バイオスーパーコンピューティング神戸2015
- Place of Presentation
  神戸大学（兵庫県・神戸市）
- Year and Date
  2015-11-30
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] 生体分子系のボトムアップ・マルチスケールシミュレーションに向けて2015
- Author(s)
  田中成典
- Organizer
  High Performance Computing Chemistry 2015ワークショップ
- Place of Presentation
  理化学研究所・計算科学研究機構（兵庫県・神戸市）
- Year and Date
  2015-12-01
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] FMO Pharmaceutical Applications2015
- Author(s)
  S. Tanaka
- Organizer
  Workshop on Innovation and Pioneering Technology – Innovation by Synergy of Computational & Synchrotron Radiation Sciences (WINTech 2015)
- Place of Presentation
  神戸大学（兵庫県神戸市）
- Year and Date
  2015-03-12
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] Toward First-Principles Simulations for the Origin of Life2015
- Author(s)
  S. Tanaka
- Organizer
  Mini-Symposium on Functional and Biogenous Materials II
- Place of Presentation
  岡山大学（岡山県岡山市）
- Year and Date
  2015-03-20
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] Multi-Scale Simulations for Complex Biomolecular Systems2014
- Author(s)
  S. Tanaka
- Organizer
  Workshop on Current Topics in Nano Simulations (CT-NanoSim2014)
- Place of Presentation
  University of Tsukuba, Tsukuba, Japan
- Year and Date
  2014-03-10
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] 大規模分子シミュレーション技術の医療・創薬への応用2014
- Author(s)
  田中成典
- Organizer
  探索医療薬物研究会第2回合同シンポジウム「創薬と医療－基礎と臨床の架け橋」
- Place of Presentation
  大阪薬科大学（大阪府高槻市）
- Year and Date
  2014-09-13
- Invited
- Data Source
  KAKENHI-PROJECT-26460035
[Presentation] Large-Scale Biomolecular Simulations on the Basis of Fragment Molecular Orbital Method2014
- Author(s)
  S. Tanaka
- Organizer
  International Workshop on Eigenvalue Problems : Algorithms, Software and Applications in Petascale Computing (EPASA2014)
- Place of Presentation
  Tsukuba International Congress Center, Tsukuba, Japan
- Year and Date
  2014-03-08
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] Exploring Theoretical Models for Water2013
- Author(s)
  S. Tanaka
- Organizer
  The 5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Todai-ji Culture Center, Nara, Japan
- Year and Date
  2013-12-03
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] 第一原理シミュレーションによる生体高分子の電子状態・ダイナミクス・輸送特性の解析2013
- Author(s)
  田中成典
- Organizer
  日本磁気学会第190回研究会「生体物質の物理」
- Place of Presentation
  中央大学駿河台記念館, 東京
- Year and Date
  2013-05-24
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] フラグメント分子軌道法を用いた薬剤耐性メカニズムの解析2013
- Author(s)
  田中成典
- Organizer
  平成24年度地球シミュレータ利用報告会
- Place of Presentation
  海洋研究開発機構横浜研究所三好記念講堂, 横浜
- Year and Date
  2013-01-31
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] 第一原理シミュレーションと創薬2013
- Author(s)
  田中成典
- Organizer
  HPCI ワークショップ2013
- Place of Presentation
  産業技術総合研究所臨海副都心センター, 東京
- Year and Date
  2013-09-11
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] 大規模分子シミュレーションと創薬2013
- Author(s)
  田中成典
- Organizer
  VINAS Users Conference 2013
- Place of Presentation
  東京コンファレンスセンター品川, 東京
- Year and Date
  2013-10-11
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] Structure-Based Drug Design with the Fragment Molecular Orbital Method2013
- Author(s)
  S. Tanaka
- Organizer
  Workshop on Innovation and Pioneering Technology - Recent Development in Drug Discovery Sciences (WINPTech 2012)
- Place of Presentation
  Kobe University, Kobe, Japan
- Year and Date
  2013-02-18
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] 大規模シミュレーションの意義2013
- Author(s)
  田中成典
- Organizer
  科学基礎論学会2013年度講演会ワークショップ「High Performance Computing の哲学」
- Place of Presentation
  大阪大学大学院人間科学研究科(吹田キャンパス), 大阪
- Year and Date
  2013-06-16
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] フラグメント分子軌道（FMO）計算の現状と今後2012
- Author(s)
  田中成典
- Organizer
  日本機械学会第25回計算力学講演会
- Place of Presentation
  甲南大学
- Invited
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] FMO 計算の今後2012
- Author(s)
  田中成典
- Organizer
  第4回「イノベーション基盤シミュレーションソフトウェアの研究開発」シンポジウム
- Place of Presentation
  東京大学生産技術研究所, 東京
- Year and Date
  2012-07-05
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] フラグメント分子軌道(FMO)計算の現状と今後2012
- Author(s)
  田中成典
- Organizer
  日本機械学会第25回計算力学講演会
- Place of Presentation
  甲南大学, 神戸
- Year and Date
  2012-10-06
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] Towards the First-Principles and Coarse-Grained Descriptions for Charge and Energy Transfers in Biomolecular Systems2012
- Author(s)
  S. Tanaka
- Organizer
  Joint Dresden-Japan Workshop on Molecular Scale and Organic Electronic Materials
- Place of Presentation
  Max Planck Institute for the Physics of Complex Systems (MPIPKS), Dresden, Germany
- Year and Date
  2012-12-13
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] Towards the First-Principles and Coarse-Grained Descriptions for Charge and Energy Transfers in Biomolecular Systems2012
- Author(s)
  S. Tanaka
- Organizer
  Indo-Japan Workshop on "Recent Advances in Spectroscopy and Microscopy : Fundamentals and Applications to Materials and Biology"
- Place of Presentation
  University of Hyderabad, Hyderabad, India
- Year and Date
  2012-11-21
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] Charge and Energy Transfers in Biomolecular Systems2012
- Author(s)
  S. Tanaka
- Organizer
  NRI-TUD Joint Workshop for Organic Nanomaterials 2012
- Place of Presentation
  AIST, Tsukuba, Japan
- Year and Date
  2012-03-13
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] Multi-Scale Simulations for Biomolecular Functions2012
- Author(s)
  S. Tanaka
- Organizer
  2nd AICS International Symposium - Computer and Computational Sciences for Exascale Computing -
- Place of Presentation
  RIKEN Advanced Institute for Computational Science, Kobe, Japan
- Year and Date
  2012-03-01
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] フラグメント分子軌道法を用いた薬剤耐性メカニズムの解析2012
- Author(s)
  田中成典
- Organizer
  平成23年度地球シミュレータ利用報告会
- Place of Presentation
  海洋研究開発機構横浜研究所三好記念講堂, 横浜
- Year and Date
  2012-02-07
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] Multi-Scale Simulations for Complex Biomolecular Systems
- Author(s)
  S. Tanaka
- Organizer
  Workshop on Current Topics in Nano Simulations (CT-NanoSim2014)
- Place of Presentation
  University of Tsukuba (Tsukuba)
- Invited
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] Large-Scale Biomolecular Simulations on the Basis of Fragment Molecular Orbital Method
- Author(s)
  S. Tanaka
- Organizer
  International Workshop on Eigenvalue Problems: Algorithms, Software and Applications in Petascale Computing (EPASA2014)
- Place of Presentation
  Tsukuba International Congress Center (Tsukuba)
- Invited
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] 第一原理シミュレーションによる生体高分子の電子状態・ダイナミクス・輸送特性の解析
- Author(s)
  田中成典
- Organizer
  日本磁気学会第190回研究会「生体物質の物理」
- Place of Presentation
  中央大学駿河台記念館（東京）
- Invited
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] 第一原理シミュレーションと創薬
- Author(s)
  田中成典
- Organizer
  HPCIワークショップ2013
- Place of Presentation
  産業技術総合研究所臨海副都心センター（東京）
- Invited
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] 大規模シミュレーションの意義
- Author(s)
  田中成典
- Organizer
  科学基礎論学会2013年度講演会ワークショップ「High Performance Computingの哲学」
- Place of Presentation
  大阪大学大学院人間科学研究科（吹田キャンパス、大阪）
- Invited
- Data Source
  KAKENHI-PROJECT-23540451
[Presentation] Exploring Theoretical Models for Water
- Author(s)
  S. Tanaka
- Organizer
  The 5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Todai-ji Culture Center (Nara)
- Invited
- Data Source
  KAKENHI-PROJECT-23540451

1. TSURUTA Hiroki (20346282)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. shima fumi (60335445)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. KITAHARA Ryou (70512284)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. KURITA Noriyuki (40283501)

# of Collaborated Projects: 1 results

# of Collaborated Products: 10 results
5. Nakamura Takashi (80344050)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
6. Fukuzawa Kaori (50718244)

# of Collaborated Projects: 1 results

# of Collaborated Products: 4 results
7. HONMA Teruki (10466039)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 熊坂崇 (30291066)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. 片岡徹 (40144472)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 松本篤幸 (00753906)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
11. 藤本和宏 (00511255)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
12. WATANABE Chiduru

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
13. 伊藤聡

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. KOMEIJI Yuto

# of Collaborated Projects: 0 results

# of Collaborated Products: 8 results
15. TATEISHI Hisae

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
16. 島村孝平

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
17. 望月祐志

# of Collaborated Projects: 0 results

# of Collaborated Products: 4 results
18. 下條冬樹

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
19. 川下理日人

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
20. TAMA FLORENCE

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
21. 杉本直己

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

TANAKA SHIGENORI 田中 成典

TANAKA Shigenori 田中 成典

Research Projects

Research Products

Co-Researchers

Computational study on thermal relaxation processes in biomolecular systemsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Computer simulation on material synthesis for origin of lifePrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Informational thermodynamics of biomolecular crowding systems in waterPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of analysis method of transition state for improvement of enzymatic function

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Development of super-resolution structure analysis techniques for bio-macromolecules based on a quantum chemical calculation

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Research on the molecular basis of conformational dynamics of oncogene product Ras for application to the development of its specific inhibitors

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Development of theoretical methods for interaction analysis of protein-ligand systems in computational drug designPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

First-principles simulations of water on the basis of quantum Monte Carlo and fragment molecular orbital methodsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Analysis of charge transfer and I-V property for the DNA chip by quantum chemical calculations

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Book] Recent Advances of the Fragment Molecular Orbital Method: Enhanced Performance and Applicability2021

Author(s)

Total Pages

Publisher

Data Source

[Book] Recent Advances of the Fragment Molecular Orbital Method: Enhanced Performance and Applicability2021

Author(s)

Total Pages

Publisher

ISBN

Data Source

[Book] Entropy-Enthalpy Compensation: Finding a Methodological Common Denominator through Probability, Statistics, and Physics2021

Author(s)

Total Pages

Publisher

Data Source

[Book] Entropy-Enthalpy Compensation: Finding a Methodological Common Denominator through Probability, Statistics, and Physics2021

Author(s)

Total Pages

Publisher

ISBN

TANAKA SHIGENORI 田中成典

TANAKA Shigenori 田中成典