Mochizuki Yuji 望月祐志

… Alternative Names

望月祐志モチヅキユウジ

MOCHIZUKI Yuji 望月祐志

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Researcher Number	00434209
Other IDs	https://orcid.org/0000-0002-7310-5183
Affiliation (Current)	2025: 立教大学, 理学部, 教授
Affiliation (based on the past Project Information) *help	2020 – 2021: 立教大学, 理学部, 教授 2016 – 2018: 立教大学, 理学部, 教授 2009 – 2013: Rikkyo University, 理学部, 教授 2008: Rikkyo University, 理学部, 准教授
Review Section/Research Field	Principal Investigator Nuclear engineering / Science and Engineering Except Principal Investigator Medium-sized Section 28:Nano/micro science and related fields / Organic chemistry
Keywords	Principal Investigator バイオテクノロジー / シミュレーション / 生体分子 / 生物物理 / 機械学習 / 量子化学計算 / 生物物理化学 / 環境安全 / DNA / タンパク質 … More / 相互作用エネルギー / 分子動力学 / 保険物理 / MD / FMO / 分子動力学法 / フラグメント分子軌道法 / アクチニド / 保健物理 / 水和反応 / 並列処理 / 水和凝集系 / 多体摂動論 / 結合クラスター展開 / 分子動力学シミュレーション / 電子相関 / 分子軌道法 / フラグメント … More Except Principal Investigator X線吸収分光法 / 第一原理計算 / 放射光 / X線吸収分光 / 脂質二重膜 / 溶媒効果 / 遷移状態 / シミュレーション / 量子化学 / 有機化学反応 Less

Understanding ion coordination states to biomembranes at the molecular level: X-ray absorption spectroscopy in water
- Principal Investigator
  
  Tero Ryugo
- Project Period (FY)
  2020 – 2021
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 28:Nano/micro science and related fields
- Research Institution
  Toyohashi University of Technology
Theoretical studies on the interaction between actinide species and biomoleculesPrincipal Investigator
- Principal Investigator
  
  MOCHIZUKI Yuji
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nuclear engineering
- Research Institution
  Rikkyo University
Microscopic Analysis of Dynamics-Controlled Organic Reactions
- Principal Investigator
  
  YAMATAKA Hiroshi
- Project Period (FY)
  2010 – 2013
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Organic chemistry
- Research Institution
  Rikkyo University
FMO法に基づく計算手法とプログラムの発展的開発Principal Investigator
- Principal Investigator
  
  望月祐志
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Rikkyo University

All 2019 2018 2017 2016 2014 2013 2012 2011 2010 2009 2008 Other

All Journal Article Presentation Book

[Book] フラグメント分子軌道法と分子動力学シミュレーション「レアメタル・希少金属リサイクル技術の最先端」2011
- Author(s)
  望月祐志, 古明地勇人
- Publisher
  フロンティア出版
- Data Source
  KAKENHI-PROJECT-22350023
[Book] フラグメント分子軌道法と分子動力学シミュレーションレアメタル・希少金属リサイクル技術の最先端2011
- Author(s)
  望月祐志, 古明地勇人
- Total Pages
  313
- Publisher
  フロンティア出版
- Data Source
  KAKENHI-PROJECT-22350023
[Book] Fragment Molecular Orbital Method : Practical Applications to Large Molecular Systems, edited by K. Kitaura and D. G. Fedorov (in Chapter 4)(印刷中)2009
- Author(s)
  Y. Mochizuki*, N. Taguch i, T. Nakano, S. Tanaka
- Publisher
  CRC press, Boca Raton
- Data Source
  KAKENHI-PROJECT-20038044
[Book] プログラムで実践する生体分子量子化学計算2008
- Author(s)
  佐藤文俊, 中野達也, 望月祐志(共同分担執筆)
- Total Pages
  235
- Publisher
  森北出版
- Data Source
  KAKENHI-PROJECT-20038044
[Journal Article] Destabilization of DNA through interstrand crosslinking by UO22+2019
- Author(s)
  A. Rossberg, T. Abe, K. Okuwaki, A. Barkleit, K. Fukuzawa, T. Nakano, Y. Mochizuki, and S. Tsushima
- Journal Title
  
  Chem. Comm.
  
  Volume: 55 Issue: 14 Pages: 2015-2018
- DOI
  10.1039/c8cc09329f
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04635
[Journal Article] A Radical Correction for Inter Fragment Interaction Energy (IFIE) between Fragments Sharing Bond Detached Atom (BDA)2019
- Author(s)
  中野達也, 望月祐志, 福澤薫, 沖山佳生, 渡邉千鶴
- Journal Title
  
  J. Comput. Aided Chem.
  
  Volume: 20 Issue: 0 Pages: 1-6
- DOI
  10.2751/jcac.20.1
- NAID
  130007605302
- ISSN
  1345-8647
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H04635
[Journal Article] Development and Application of FMO Calculation − DPD Simulation Conbination Scheme2018
- Author(s)
  奥脇弘次, 土居英男, 望月祐志, 小沢拓, 泰岡顕治, 福澤薫
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 17 Issue: 3 Pages: 144-146
- DOI
  10.2477/jccj.2018-0020
- NAID
  130007501035
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H04635
[Journal Article] Application of TensorFlow to recognition of visualized results of fragment molecular orbital (FMO) calculations2018
- Author(s)
 S. Saitou, J. Iijima, M. Fujimoto, Y. Mochizuki, K. Okuwaki, H. Doi, and Y. Komeiji
- Journal Title
 
 Chem-Bio Informatics Journal
 
 Volume: 18 Issue: 0 Pages: 58-69
- DOI
 10.1273/cbij.18.58
- NAID
 130006619328
- ISSN
 1347-0442, 1347-6297
- Language
 English
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PROJECT-16H04635
[Journal Article] Development of the Fragment Molecular Orbital Method for Calculating Non-local Excitations in Large Molecular Systems2018
- Author(s)
  T. Fujita, and Y. Mochizuki
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 122 Issue: 15 Pages: 3886-3898
- DOI
  10.1021/acs.jpca.8b00446
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H04635
[Journal Article] Deeper Level Parallelization and Performance Evaluation ofFMO Program ABINIT-MP on Oakforest-PACS2018
- Author(s)
  渡邊啓正, 佐藤伸哉, 坂倉耕太, 齊藤天菜, 望月祐志
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 17 Issue: 3 Pages: 147-149
- DOI
  10.2477/jccj.2018-0023
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H04635
[Journal Article] Accuracy of Dimer-ES Approximation on Fragment Molecular Orbital (FMO) Method 2018
- Author(s)
 T. Nakano, K. Fukuzawa, Y. Okiyama, C. Watanabe, Y. Komeiji, and Y. Mochizuki
- Journal Title
 
 Chem-Bio Informatics Journal
 
 Volume: 18 Issue: 0 Pages: 119-122
- DOI
 10.1273/cbij.18.119
- NAID
 130007496283
- ISSN
 1347-0442, 1347-6297
- Year and Date
 2018-10-05
- Language
 Japanese
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PROJECT-16H04635
[Journal Article] RI-MP3 calculations of biomolecules based on the fragment molecular orbital method2018
- Author(s)
  Ishikawa Takeshi、Sakakura Kota、Mochizuki Yuji
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 39 Issue: 24 Pages: 1970-1978
- DOI
  10.1002/jcc.25368
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K11536, KAKENHI-PROJECT-16H04635, KAKENHI-PROJECT-16H05840, KAKENHI-PROJECT-16K00397
[Journal Article] Development of Educational Scratch Programs for the First-year Students in Chemistry Course of University2018
- Author(s)
  満野仁美, 中川知樹, 土居英男, 望月祐志
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 17 Issue: 3 Pages: 111-112
- DOI
  10.2477/jccj.2018-0022
- NAID
  130007496290
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H04635
[Journal Article] A portable code for dissipative particle dynamics (DPD) simulations with additional specific interactions2018
- Author(s)
 H. Doi, S. Saitou, K. Okuwaki, T. Naitou, and Y. Mochizuki
- Journal Title
 
 Chem-Bio Informatics Journal
 
 Volume: 18 Issue: 0 Pages: 70-85
- DOI
 10.1273/cbij.18.70
- NAID
 130007386454
- ISSN
 1347-0442, 1347-6297
- Year and Date
 2018-06-30
- Language
 English
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PROJECT-16H04635
[Journal Article] A Preliminary Study of Correction for Inter Fragment Interaction Energy (IFIE) between Fragments Sharing Bond Detached Atom (BDA)2017
- Author(s)
  中野達也, 望月祐志, 福澤薫, 沖山佳生, 渡邉千鶴
- Journal Title
  
  J. Comput. Aided Chem.
  
  Volume: 18 Issue: 0 Pages: 143-148
- DOI
  10.2751/jcac.18.143
- NAID
  130006172777
- ISSN
  1345-8647
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H04635
[Journal Article] Current Status of ABINIT-MP as a FMO Program and Related Works with Machine Learning2017
- Author(s)
  望月祐志, 坂倉耕太, 秋永宜伸, 加藤幸一郎, 渡邊啓正, 沖山佳生, 中野達也, 古明地勇人,奥沢明, 福澤薫, 田中成典
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 16 Issue: 5 Pages: 119-122
- DOI
  10.2477/jccj.2017-0051
- NAID
  130006322245
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H04635
[Journal Article] Improved Description of the Orbital Relaxation Effect by Practical Use of the Self-Energy2014
- Author(s)
  M. Saitow, T. Ida, Y. Mochizuki
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 114 Issue: 9 Pages: 577-586
- DOI
  10.1002/qua.24625
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023, KAKENHI-PROJECT-24550015
[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] Dynamic fragmentation with static fragments (DF/SF) algorithm designed for ab initio fragment molecular orbital-based molecular dynamics (FMO-MD) simulations of polypeptides2013
- Author(s)
 Y. Komeiji, T. Fujiwara, Y. Okiyama, Y. Mochizuki
- Journal Title
 
 Chem-Bio Informatics Journal
 
 Volume: 13 Issue: 0 Pages: 45-57
- DOI
 10.1273/cbij.13.45
- NAID
 130004138128
- ISSN
 1347-0442, 1347-6297
- Language
 English
- Peer Reviewed
- Data Source
 KAKENHI-PROJECT-22350023
[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] 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] Excited State Calculation for Free-Base and Metalloporphyrins with the Partially Renormalized Polarization Propagator Approach2012
- Author(s)
  M.Saitow, Y.Mochizuki
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 525-526 Pages: 144-149
- DOI
  10.1016/j.cplett.2011.12.063
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] FMO-MD Simulations on Hydration of Formaldehyde in Water Solution with Constraint Dynamics2012
- Author(s)
  M. Sato, H. Yamataka, Y. Komeiji, Y. Mochizuki
- Journal Title
  
  Chem. Eur. J
  
  Volume: 18 Issue: 31 Pages: 9714-9721
- DOI
  10.1002/chem.201200874
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] 4f-In-Core Model Core Potentials for Trivalent Lanthanides2011
- Author(s)
  T.Fujiwara, H.Mori, Y.Mochizuki, Y.Osanai, E.Miyoshi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 510 Issue: 4-6 Pages: 261-266
- DOI
  10.1016/j.cplett.2011.05.028
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023, KAKENHI-PROJECT-22750011
[Journal Article] Fragment molecular orbital-based molecular dynamics (FMO-MD) method with MP2 gradient.2011
- Author(s)
  Y.Mochizuki, T.Nakano, Y.Komeiji, K.Yamashita, Y.Okiyama, H.Yoshikawa, H.Yamataka
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 504 Pages: 95-99
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Fragment Molecular Orbital-Based Molecular Dynamics (FMO-MD) Method with MP2 Gradient2011
- Author(s)
  Y.Mochizuki, T.Nakano, K.Komeiji, K.Yamashita, Y.Okiyama, H.Yoshikawa, H.Yamataka
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 504 Issue: 1-3 Pages: 95-99
- DOI
  10.1016/j.cplett.2011.01.039
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Prediction of Probable Mutations in Influenza Virus Hemagglutinin Protein Based on Large-Scale Ab Initio Fragment Molecular Orbital Calculations2011
- Author(s)
  A.Yoshioka, K.Fukuzawa, Y.Mochizuki, K.Yamashita, T.Nakano, Y.Okiyama, E.Nobusawa, K.Nakajimah, S.Tanaka
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 30 Pages: 110-119
- DOI
  10.1016/j.jmgm.2011.06.011
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Antigen-antibody Interactions of Influenza Virus Hemagglutinin Revealed by the Fragment Molecular Orbital Calculation2011
- Author(s)
  A.Yoshioka, K.Takematsu, I.Kurisaki, K.Fukuzawa, Y.Mochizuki, T.Nakano, E.Nobusawa, K.Nakajima, S.Tanaka
- Journal Title
  
  Theoretical Chemistry Accounts
  
  Volume: 130 Issue: 4-6 Pages: 1197-1202
- DOI
  10.1007/s00214-011-1048-z
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Fragment molecular orbital calculations for excitation energies of blue- and yellow-fluorescent proteins2011
- Author(s)
  N.Taguchi, Y.Mochizuki, T.Nakano
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 504 Pages: 76-82
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Higher-order Correlated Calculations Based on Fragment Molecular Orbital Scheme2011
- Author(s)
  Y. Mochizuki, K. Yamashita, T. Nakano, Y. Okiyama, K. Fukuzawa, N. Taguchi, S. Tanaka
- Journal Title
  
  Theor. Chem. Acc
  
  Volume: 130 Issue: 2-3 Pages: 515-530
- DOI
  10.1007/s00214-011-1036-3
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Acceleration of fragment molecular orbital calculations with Cholesky decomposition approach2010
- Author(s)
  Y.Okiyama, T.Nakano, K.Yamashita, Y.Mochizuki, N.Taguchi, S.Tanaka
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 490 Pages: 84-89
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Large-scale FMO-MP3 calculations on the surface proteins of influenza virus, hemagglutinin (HA) and neuraminidase (NA)2010
- Author(s)
  Y.Mochizuki, K.Yamashita, K.Fukuzawa, K.Takematsu, H.Watanabe, N.Taguchi, Y.Okiyama, M.Tsuboi, T.Nakano, S.Tanaka
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 493 Pages: 346-352
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Does Amination of Formaldehyde Proceeds through Zwitterionic Intermediate in Water? FMO-MD Simulations by Using Constraint Dynamics2010
- Author(s)
  M.Sato, H.Yamataka, Y.Komeiji, Y.Mochizuki, T.Nakano
- Journal Title
  
  Chemistry, A European Journal
  
  Volume: 16 Pages: 6430-6433
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Fragment molecular orbital-based molecular dynamics(FMO-MD) simulations on hydrated Zn(II) ion2010
- Author(s)
  T.Fujiwara, Y.Mochizuki*, Y.Komeiji, T.Nakano, Y.Okiyama, H.Mori, E.Miyoshi
- Journal Title
  
  Chem.Phys.Lett. 490
  
  Pages: 41-45
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038044
[Journal Article] Three-body expansion and generalized dynamic fragmentation improve the fragment molecular orbital-based molecular dynamics(FMO-MD)2010
- Author(s)
  Y.Komeiji*, Y.Mochizuki, T.Nakano
- Journal Title
  
  Chem.Phys.Lett. 484
  
  Pages: 380-386
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038044
[Journal Article] Three-body expansion and generalized dynamic fragmentation improve the Fragment Molecular Orbital-based Molecular Dynamics (FMO-MD)2010
- Author(s)
  Y.Komeiji, Y.Mochizuki, T.Nakano
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 484 Pages: 380-386
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22350023
[Journal Article] Ab initio quantum-chemical study on emission spectra of bioluminescent liciferases by fragment molecular orbital method2009
- Author(s)
  A. Tagami, N. Ishibashi, D. Kato, N. Taguchi, Y. Mochizuki, M. Ito, H. Watanabe, S. Tanaka
- Journal Title
  
  Chem. Phys. Lett 472
  
  Pages: 118-123
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038044
[Journal Article] Fragment Molecular Orbital-based Molecular Dynamics (FM O-MD), a quantum simulation tool for large molecular systems2009
- Author(s)
  Y. Komeiji, Y. Mochizuki, T. Nakano, -D. G. Fedorov
- Journal Title
  
  J. Mole. Struct. (Theochem) 898
  
  Pages: 2-7
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038044
[Journal Article] Fragment molecular orbital calculations on red fluoresc ent proteins(DsRed and mFruits)2009
- Author(s)
  N. Taguchi, Y. Mochizuki, T. Nakano, S. Amari, K. Fukuzawa, T. Ishikawa, M. Sakurai, S. Tanaka
- Journal Title
  
  J. Phys. Chem. B 113
  
  Pages: 1153-1161
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038044
[Journal Article] Accuracy of fragmentation in ab initio calculations of hydrated sodium2009
- Author(s)
  T.Fujita*, K.Fukuzawa, Y.Mochizuki, T.Nakano, S.Tanaka
- Journal Title
  
  Chem.Phys.Lett. 478
  
  Pages: 295-300
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038044
[Journal Article] Application of Dyson-corrected second-order Perturbation theories2009
- Author(s)
  Y. Mochizuki
- Journal Title
  
  Chem. Phys. Lett 472
  
  Pages: 143-148
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038044
[Journal Article] Possibility of Mutation Prediction of Influenza Hemagglutinin by Combination of Hemadsorption Experiment and Quantum Chemical Calculation for Antibody Binding2009
- Author(s)
  K. Takematsu, K. Fukuzawa, K. Omagari, S. Nakajima, K. Nakajima, Y. Mochizuki, T. Nakano, H. Watanabe, S. Tanaka
- Journal Title
  
  J. Phys. Chem. B (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038044
[Journal Article] Fragment Molecular Orbital method based Molecular Dynamics(FMO-MD)as a simulator for chemical reactions in explicit solvation2009
- Author(s)
  Y. Komeiji, T. Ishikawa, Y. Mochizuki, H. Yamataka, T. Nakano
- Journal Title
  
  J. Comp. Chem 30
  
  Pages: 40-50
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] 脂質ベシクル、タンパク質の非経験的粗視化シミュレーション2019
- Author(s)
  奥脇弘次, 新庄英治, 土居英男, 望月祐志, 福澤薫, 米持悦生
- Organizer
  応用物理学会春期年会2019
- Invited
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] 天然ゴム中タンパク質とイソプレン鎖末端部との相互作用解析2019
- Author(s)
  阿部鷹也, 奥脇弘次, 望月祐志, 福澤薫, 佐藤弘一
- Organizer
  応用物理学会春期年会2019
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] FMO-DPD手法の開発と脂質・タンパク質への応用2019
- Author(s)
  望月祐志, 奥脇弘次, 土居英男, 小沢拓, 泰岡顕治, 福澤薫
- Organizer
  応用物理学会春期年会2019
- Invited
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Fragment molecular orbital based interaction analyses for peptides solid surface systems2019
- Author(s)
  K. Kato, K. Fukuzawa, Y. Mochizuki
- Organizer
  The Second International Workshop by the 174th Committee on Coexistence of Biology and Nanodevices
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] FMO-based interaction analyses on uranyl(VI)-bound model DNA2018
- Author(s)
  T. Abe, K. Okuwaki, S. Tsushima, Y. Mochizuki, Y. Komeiji, K. Fukuzawa, T. Nakano, K. Okiyama, E. Miyoshi
- Organizer
  ATAS 2018 Workshop（国際、仏国ニースで開催）
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] 3Dプリント、および複合現実感(MR)による分子モデルの表現2018
- Author(s)
  望月祐志，中村昇太，牧村健，藤本賢志，奥脇弘次，福澤薫，工藤光子
- Organizer
  応用物理学会秋期年会2018
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Non-empirical Coarse-grained Simulations for Lipid Bilayer and Protein2018
- Author(s)
  K. Okuwaki, E. Shinsho, H. Doi, Y. Mochizuki, K. Fukuzawa, E. Yonemochi
- Organizer
  CBI conference 2018（国内会議）
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] FMO法を用いたカルサイト結晶表面とペプチドの相互作用解析2018
- Author(s)
  望月祐志, 加藤幸一郎, 福澤薫
- Organizer
  応用物理学会秋期年会2018
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Development status of ABINIT-MP program in 20182018
- Author(s)
  Y. Mochizuki, K. Sakakura, Y. Akinaga, H. Watanabe, K. Kato, K. Fukuzawa,T. Nakano
- Organizer
  CBI conference 2018 （国内会議）
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Kerasを使った転移学習の応用事例2018
- Author(s)
  伊藤雅仁, 伊藤隆登, 齊藤天菜, 土居英男, 望月祐志
- Organizer
  日本コンピュータ化学会2018年春季年会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] DNA-ウラニル系のFMO計算に基づく相互作用解析2018
- Author(s)
  津島悟, 阿部鷹也, 奥脇弘次, 望月祐志, 古明地勇人, 福澤薫, 中野達也, 沖山佳生, 三好永作
- Organizer
  日本コンピュータ化学会2018年春季年会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] タイヤゴム素材に関する計算化学的研究の事例紹介2018
- Author(s)
  石川雄太郎, 阿部鷹也, 奥脇弘次, 土居英男, 望月祐志, 福澤薫, 佐藤弘一
- Organizer
  高分子基礎物性研究会・高分子計算機科学研究会・高分子ナノテクノロジー研究会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] 大学初年度向け化学教育のためのScratchプログラムの開発2018
- Author(s)
  中川知樹, 土居英男, 満野仁美, 望月祐志
- Organizer
  日本コンピュータ化学会2018年春季年会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] FMOとDPDを連携したマルチスケールシミュレーション手法(FMO-DPD)の開発と先導的応用2018
- Author(s)
  奥脇弘次, 土居英男, 望月祐志, 小沢拓, 泰岡顕治, 福澤薫
- Organizer
  分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] 脂質ベシクル、タンパク質の非経験的粗視化シミュレーション2018
- Author(s)
  奥脇弘次, 新庄英治, 土居英男, 望月祐志, 福澤薫, 米持悦生
- Organizer
  応用物理学会秋期年会2018
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] RI-MP3 calculations of biomolecules based on the fragment molecular orbital method with PAICS2018
- Author(s)
  T. Ishikawa, K. Sakakura, Y. Mochizuki
- Organizer
  CBI conference 2018（国内会議）
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] フラグメント分子軌道(FMO)法のナノバイオ系への応用事例2018
- Author(s)
  望月祐志, 加藤幸一郎, 福澤薫
- Organizer
  日本生物工学会大会シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Xeon Phi KNL環境でのMO計算プログラムの性能評価2017
- Author(s)
  齊藤天菜, 望月祐志, 石村和也, 渡邊啓正, 坂倉耕太, 佐藤伸哉
- Organizer
  日本コンピュータ化学会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Ca(II)およびEu(III)が結合したカルモデュリンの動的挙動の理論的解析2017
- Author(s)
  津島悟, 望月祐志, 古明地勇人, 阿部鷹也, 奥脇弘次, 森寛敏, 田中成典
- Organizer
  応用物理学会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] ウラニルイオンとDNAの相互作用2017
- Author(s)
  津島悟, 望月祐志, Andre Rossberg, 古明地勇人
- Organizer
  極限環境生物学会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Xeon Phi KNL環境でのMO計算プログラムの性能評価-その２2017
- Author(s)
  齊藤天菜, 望月祐志, 石村和也, 渡邊啓正, 坂倉耕太, 佐藤伸哉, 土居英男
- Organizer
  日本コンピュータ化学会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] MD-FMO連携計算によるDNA-ウラニル系の相互作用解析2017
- Author(s)
  津島悟, 阿部鷹也, 奥脇弘次, 望月祐志, 古明地勇人, 福澤薫, 中野達也, 沖山佳生, 三好永作
- Organizer
  応用物理学会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] フラグメント分子軌道法(FMO法)による一本鎖DNAと結合タンパク質の相互作用解析2017
- Author(s)
  古明地勇人, 沖山佳生, 望月祐志, 福澤薫
- Organizer
  応用物理学会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] FMO計算に基づくマルチスケールシミュレーションのナノバイオ系への応用2017
- Author(s)
  奥脇弘次, 土居英男, 望月祐志, 小沢拓, 泰岡顕治, 福澤薫
- Organizer
  応用物理学会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] FMO計算結果の機械学習による解析2017
- Author(s)
  望月祐志, 古明地勇人，齊藤天菜，藤本真悠，飯島潤，阿部鷹也, 奥脇弘次, 土居英男，奥沢明，牧村健，中西貴哉，福澤薫，田中成典
- Organizer
  日本コンピュータ化学会
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Site-specific binding affinity of Eu(III) towards Ca-binding protein calmodulin: A combined spectroscopic and theoretical study2017
- Author(s)
  S. Tsushima, S. Samsonov, B. Drobot, J. Raff, Y. Komeiji, Y. Mochizuki
- Organizer
  Actinides 2017 Conf.
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Fragment Molecular Orbital (FMO) for studying actinide interaction with proteins2016
- Author(s)
  S.Tsushima*, T.Ishikawa, S.Tanaka, H.Mori, M.Saeki, T.Nakano, Y.Komeiji, Y.Mochizuki
- Organizer
  3rd International Workshop on Advanced Techniques in Actinide Spectroscopy (ATAS 2016)
- Place of Presentation
  EMSL Richland, Washington, USA
- Year and Date
  2016-11-07
- Data Source
  KAKENHI-PROJECT-16H04635
[Presentation] Explicit Solvation Modulates Intra- and Inter-Molecular Interactions Within DNA : Electronic Aspects Revealed by the Ab Initio Fragment Molecular Orbital (FMO) Method2014
- Author(s)
  K. Fukuzawa, I. Kurisaki, C. Watanabe, Y. Okiyama, Y. Mochizuki, S. Tanaka, Y. Komeiji
- Organizer
  58th Annual Meeting of Biophysical Society
- Place of Presentation
  San Francisco, USA
- Year and Date
  2014-02-15
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] FMO-MDを用いた水溶液中におけるt-BuClの加水分解反応シミュレーション2012
- Author(s)
  佐藤真、山高博、古明地勇人、望月祐志、中野達也
- Organizer
  第92日本化学会春季年会
- Place of Presentation
  神奈川
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] FMOプログラムABINIT-MP(X)の開発と応用2012
- Author(s)
  望月祐志
- Organizer
  生命医薬情報学連合大会
- Place of Presentation
  東京大学、東京
- Invited
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Ab Initio Fragment Molecular Orbital-Molecular Dynamics (FMO-MD) Simulation on Hydrolysis of Anticancer Platinum Complexes2011
- Author(s)
  H.Mori, N.Hirayama, Y.Komeiji, Y.Mochizuki
- Organizer
  The World Association of Theoretical and Computational Chemists 2011
- Place of Presentation
  Santiago de Compostela, Spain
- Year and Date
  2011-07-17
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Hydrolysis of Anticancer Platinum Complexes : a Relativistic FMO-MD Study2011
- Author(s)
  N.Hirayama, H.Mori, Y.Komeiji, Y.Mochizuki
- Organizer
  The World Association of Theoretical and Computational Chemists 2011
- Place of Presentation
  Santiago de Compostela, Spain
- Year and Date
  2011-07-17
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Fragment Molecular Orbital Study for Interaction Between Influenza Virus Neuraminidase and Antiviral Drug2011
- Author(s)
  K.Fukuzawa, Y.Mochizuki, H.Mibe, C.Watanabe, S.Tanaka, T.Nakano
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  Tokyo(招待講演)
- Year and Date
  2011-09-14
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Ab Initio Fragment Molecular Orbital-Molecular Dynamics (FMO-MD) Study of Solvation Differences Between Cis- and Trans-Platins in Water2011
- Author(s)
  H.Mori, N.Hirayama, Y.Komeiji, Y., Mochizuki
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  Tokyo
- Year and Date
  2011-09-14
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Excitation Propagator Approach Augmented with Self-Energy2011
- Author(s)
  M.Saitow, T.Ida, Y.Mochizuki
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  Tokyo
- Year and Date
  2011-09-14
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] The Differences in Hydration Structures of Cis/Trans-Platin : An Ab Initio Molecular Dynamics Study in the Activation Processes of Their Anticancer Function2011
- Author(s)
  H.Mori, N.Hirayama, Y.Komeiji, Y.Mochizuki
- Organizer
  The World Association of Theoretical and Computational Chemists 2011
- Place of Presentation
  Santiago de Compostela, Spain
- Year and Date
  2011-07-17
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] FMO-MD Simulations for Hydrated Trivalent Lanthanide Ions2011
- Author(s)
  T.Fujiwara, Y.Mochizuki, H.Mori, Y.Komeiji, T.Nakano, Y.Okiyama, E.Miyoshi
- Organizer
  The World Association of Theoretical and Computational Chemists 2011
- Place of Presentation
  Santiago de Compostela, Spain
- Year and Date
  2011-07-17
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] FMO-MD Simulations for Hydrated Trivalent Lanthanide Ions using 4f-In-Core Model Core Potentials2011
- Author(s)
  T.Fujiwara, Y.Mochizuki, H.Mori, Y.Komeiji, T.Nakano, Y.Okiyama, E.Miyoshi
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  Tokyo
- Year and Date
  2011-09-14
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Electronic Excited State of a Series of Porphyrin Molecules ; Development of an Effective Renormalization Scheme2011
- Author(s)
  M.Saitow, Y.Mochizuki
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  Tokyo
- Year and Date
  2011-09-14
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Fragment Molecular Orbital Calculations with ABINIT-MP(X)2011
- Author(s)
  Y.Mochizuki
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  Tokyo
- Year and Date
  2011-09-14
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Theoretical Analysis of Amination of Fornaldehyde : FMO-MD Simulations by Using Constraint Dynamics.2010
- Author(s)
  M.Sato, H.Yamataka, Y.Komeji, Y.Mochizuki, T.Nakano
- Organizer
  International Conference on Physical Organic Chemistry
- Place of Presentation
  釜山(韓国)
- Year and Date
  2010-08-28
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] MDを利用した水溶液中におけるt-BuClの加水分解反応シミュレーション2010
- Author(s)
  佐藤真、山高博、古明地勇人、望月祐志、中野達也
- Organizer
  第21回基礎有機化学討論会
- Place of Presentation
  名古屋
- Year and Date
  2010-09-09
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] フラグメント分子軌道法によるポリシラン類の物性に関する理論的研究2009
- Author(s)
  田口尚貴, 望月祐志, 石川岳志, 中野達也, 森寛敏, 三好永作, 田中成典
- Organizer
  日本化学会第89春季年会(ポスター)
- Place of Presentation
  習志野
- Year and Date
  2009-03-27
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] ポリシラン類の物性に関する理論的研究2009
- Author(s)
  田口尚貴, 望月祐志, 石川岳志, 中野達也, 森寛敏, 三好永作, 田中成典
- Organizer
  スーパーコンピューターワークショップ2009(ポスター)
- Place of Presentation
  岡崎
- Year and Date
  2009-01-09
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] Large-scale correlated calculations with fragment molecular orbital scheme2009
- Author(s)
  Y.Mochizuki
- Organizer
  CESTC2009
- Place of Presentation
  Dobogoko, Hungary
- Year and Date
  2009-09-26
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] Recent Progress in the Fragment Molecular Orbital Method (Invited talk)2008
- Author(s)
  Y. Mochizuki
- Organizer
  CECAM Workshop (http://www.cecam.org)
- Place of Presentation
  フランス、リヨン
- Year and Date
  2008-05-27
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] FMO法に基づく電子相関計算と分子動力学計算(依頼講演)2008
- Author(s)
  望月祐志
- Organizer
  科学研究費補助金特定領域研究[実在系/の分子理論]成果報告会
- Place of Presentation
  札幌
- Year and Date
  2008-12-14
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] フラグメント分子軌道法によるDsRed類縁種の励起状態に関する理論的研究2008
- Author(s)
  田口尚貴, 望月祐志, 中野達也, 石川岳志, 福澤薫, 櫻井実, 田中成典
- Organizer
  理論化学討論会(口頭)
- Place of Presentation
  横浜
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] フラグメント分子軌道法計算を応用したインフルエンザヘマグルチニンの変異基盤解析2008
- Author(s)
  竹松和友, 福澤薫, 中島捷久, 尾曲克巳, 望月祐志, 渡邉博文, 田中成典
- Organizer
  分子科学討論会(ポスター)
- Place of Presentation
  福岡
- Year and Date
  2008-08-25
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] 赤色蛍光タンパク質の励起状態に関する理論的研究2008
- Author(s)
  田口尚貴, 望月祐志, 中野達也, 甘利真司, 福澤薫, 石川岳志, 櫻井実, 田中成典
- Organizer
  バイオスーパーコンピューティング・シンポジウム(BSCS)2008(ポスター)
- Place of Presentation
  東京
- Year and Date
  2008-12-25
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] Theoretical Study of the Excited States of DsRed Mutants by Fragment Molecular Orbital Method2008
- Author(s)
  N. Taguchi, Y. Mochizuki, T. Nakano, T. Ishikawa, K. Fukuzawa, M. Sakurai, S. Tanaka
- Organizer
  WATOC2008 (Poster)
- Place of Presentation
  オーストラリア、シドニー
- Year and Date
  2008-09-15
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] フラグメント分子軌道法におけるpost-HF計算の高速化2008
- Author(s)
  望月祐志, 山下勝美, 中野達也, 田中成典
- Organizer
  分子科学討論会(口頭)
- Place of Presentation
  福岡
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-20038044
[Presentation] FMO Calculations For Nano-Biotechnology
- Author(s)
  Y. Mochizuki, Y. Okiyama, K. Fukuzawa, C. Watanabe, K. Kato, T. Tsukamoto, T. Nakano, S. Tanaka
- Organizer
  Chem-Bio Informatics Conference 2013
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] ナフチリジンを架橋配位子とするRu-Ru錯体の電子状態に関する理論解析
- Author(s)
  小嶋亮平, 瀬戸根直希, 和田亨, 望月祐志
- Organizer
  第63回錯体化学討論会
- Place of Presentation
  沖縄
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Modeling of Silica-Peptide Interaction Based on the Fragment Molecular Orbital (FMO) Calculations
- Author(s)
  Y. Mochizuki, K. Fukuzawa, Y. Okiyama, C. Watanabe
- Organizer
  ISAM (International Society of Addiction Medicine) 4 Conference
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] FMO電子状態計算によるX線結晶構造の精密化の検討
- Author(s)
  福澤薫, 渡邉千鶴, 塚本貴志, 加藤昭史, 沖山佳生, 田中成典, 望月祐志
- Organizer
  日本化学会2014春季年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] FMO-Based Electron Density Analysis to Protein Structure Refinement
- Author(s)
  C. Watanabe, K. Fukuzawa, Y. Okiyama, A. Kato, T. Tsukamoto, S. Tanaka, Y. Mochizuki
- Organizer
  Chem-Bio Informatics Conference 2013
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] テトラシアニド白金錯体－メチルビオロゲン複合系における電子状態解析と構造予測
- Author(s)
  小嶋亮平, 上之原和佳, 松下信之, 森寛敏, 望月祐志
- Organizer
  第63回錯体化学討論会
- Place of Presentation
  沖縄
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] フラグメント分子軌道計算に基づくペプチド-シリカの相互作用解析
- Author(s)
  望月祐志, 沖山佳生, 渡邉千鶴, 塚本貴志, 福澤薫, 田中成典
- Organizer
  応用物理学会秋季年会2013
- Place of Presentation
  京田辺
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] フラグメント分子軌道計算プログラムABINIT-MPの開発と応用事例
- Author(s)
  望月祐志
- Organizer
  新化学技術推進協議会-先端化学・材料技術部会-研究会
- Place of Presentation
  東京
- Invited
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] 酵素Ny1B-基質複合体における誘導適合に伴う残基間相互作用エネルギー(IFIE)変化の理論解析
- Author(s)
  安東寛之, 馬場剛史, 重田育照, 渡邉千鶴, 沖山佳生, 望月祐志, 中野雅由
- Organizer
  日本化学会2014春季年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] ABINIT-MPによる京でのフラグメント分子軌道計算
- Author(s)
  沖山佳生, 渡邉千鶴, 望月祐志, 坂倉耕太, 山本純一, 野口孝明, 小久保達信, 新宮哲, 古明地勇人, 福澤薫, 中野達也, 田中成典
- Organizer
  日本化学会2014春季年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] FMO-Based Cluster Analysis for Drug Design by Multi-Dimensional Scaling
- Author(s)
  R. Kurauchi, S. Tanaka, K. Fukuzawa, A. Kato, C. Watanabe, Y. Okiyama, Y. Mochizuki, T. Nakano
- Organizer
  Chem-Bio Informatics Conference 2013
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] ABINIT-MPでの現状の機能紹介と今後の展開
- Author(s)
  望月祐志
- Organizer
  スーパーコンピューティング技術産業応用協議会-セミナー
- Place of Presentation
  東京
- Invited
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] FMO Calculations with ABINIT-MP on K-Computer
- Author(s)
  Y. Okiyama, C. Watanabe, K. Fukuzawa, S. Tanaka, Y. Mochizuki
- Organizer
  Chem-Bio Informatics Conference 2013
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Refinement of Crystal Structures Using Partial Geometry Optimization and Electron Density Calculations Based on the Fragment Molecular Orbital Method
- Author(s)
  K. Fukuzawa, N. Watanabe, C. Watanabe, Y. Okiyama, S. Tanaka, Y. Mochizuki
- Organizer
  Chem-Bio Informatics Conference 2013
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] フラグメント分子軌道（FMO）計算の現状と今後
- Author(s)
  望月祐志
- Organizer
  新学術領域「分子ロボティックス」研究会
- Place of Presentation
  東京
- Invited
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] 逆相液体クロマトグラフィー系の分離挙動に関する計算化学的研究
- Author(s)
  永田大樹，豊島輝，沖山佳生，都築誠二，宮部寛志，望月祐志
- Organizer
  応用物理学会春季年会2014
- Place of Presentation
  相模原
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] Explicit solvation modulates intra- and inter-molecular interactions within DNA: electronic aspects revealed by the ab initio Fragment Molecular Orbital (FMO) method
- Author(s)
  K. Fukuzawa, I. Kurisaki, C. Watanabe, Y. Okiyama, Y. Mochizuki, S. Tanaka, Y. Komeiji
- Organizer
  58th Annual Meeting of Biophysical Society
- Place of Presentation
  San Francisco, USA
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] フラグメント分子軌道計算の現状と今後
- Author(s)
  望月祐志
- Organizer
  第13回蛋白質科学会年会
- Place of Presentation
  鳥取
- Invited
- Data Source
  KAKENHI-PROJECT-22350023
[Presentation] フラグメント分子軌道法プログラムABINIT-MPの京への導入
- Author(s)
  望月祐志
- Organizer
  HPCI戦略プログラム分野４次世代ものづくり-ワークショップ
- Place of Presentation
  東京
- Invited
- Data Source
  KAKENHI-PROJECT-22350023

1. KOMEIJI Yuto (30357032)

# of Collaborated Projects: 2 results

# of Collaborated Products: 29 results
2. YAMATAKA Hiroshi (60029907)

# of Collaborated Projects: 1 results

# of Collaborated Products: 7 results
3. SATO Makoto (10634347)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results
4. Tero Ryugo (40390679)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 石川岳志 (80505909)

# of Collaborated Projects: 1 results

# of Collaborated Products: 4 results
6. 長坂将成 (90455212)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. TSUSHIMA satoru

# of Collaborated Projects: 1 results

# of Collaborated Products: 8 results
8. MORI hirotoshi

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
9. NAKANO tatsuya

# of Collaborated Projects: 1 results

# of Collaborated Products: 6 results

Mochizuki Yuji 望月 祐志

望月 祐志 モチヅキ ユウジ

MOCHIZUKI Yuji 望月 祐志

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Co-Researchers

Understanding ion coordination states to biomembranes at the molecular level: X-ray absorption spectroscopy in water

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Theoretical studies on the interaction between actinide species and biomoleculesPrincipal Investigator

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Microscopic Analysis of Dynamics-Controlled Organic Reactions

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FMO法に基づく計算手法とプログラムの発展的開発Principal Investigator

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[Book] フラグメント分子軌道法と分子動力学シミュレーション「レアメタル・希少金属リサイクル技術の最先端」2011

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[Book] フラグメント分子軌道法と分子動力学シミュレーション レアメタル・希少金属リサイクル技術の最先端2011

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[Book] Fragment Molecular Orbital Method : Practical Applications to Large Molecular Systems, edited by K. Kitaura and D. G. Fedorov (in Chapter 4)(印刷中)2009

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[Book] プログラムで実践する生体分子量子化学計算2008

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[Journal Article] Destabilization of DNA through interstrand crosslinking by UO22+2019

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[Journal Article] A Radical Correction for Inter Fragment Interaction Energy (IFIE) between Fragments Sharing Bond Detached Atom (BDA)2019

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[Journal Article] Development and Application of FMO Calculation − DPD Simulation Conbination Scheme2018

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[Journal Article] <b>Application of TensorFlow to recognition of visualized results of fragment molecular orbital (FMO) calculations</b>2018

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[Journal Article] Development of the Fragment Molecular Orbital Method for Calculating Non-local Excitations in Large Molecular Systems2018

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Mochizuki Yuji 望月祐志

望月祐志モチヅキユウジ

MOCHIZUKI Yuji 望月祐志

[Book] フラグメント分子軌道法と分子動力学シミュレーションレアメタル・希少金属リサイクル技術の最先端2011