CHUMAN Hiroshi 中馬寛

Researcher Number	20304545
Other IDs
External Links
Affiliation (based on the past Project Information) *help	2015: 徳島大学, 大学院医歯薬学研究部, 教授 2014: 徳島大学, 大学院ヘルスバイオサイエンス研究部, 教授 2012 – 2014: 徳島大学, ヘルスバイオサイエンス研究部, 教授 2007 – 2010: The University of Tokushima, Graduate School, Institute of Health Bioscieces, Professor 2006: 徳島大学, ヘルスバイオサイエンス研究科, 教授 … More 2006: The University of Tokushima, Institute of Health Biosciences, Professor, 大学院ヘルスバイオサイエンス研究部, 教授 2004 – 2005: 徳島大学, 大学院・ヘルスバイオサイエンス研究部, 教授 2002 – 2003: 徳島大学, 薬学部, 教授 1999 – 2000: 徳島大学, 薬学部, 教授 Less
Review Section/Research Field	Principal Investigator Physical pharmacy / 医薬分子機能学 Except Principal Investigator Medical pharmacy / 分離・精製・検出法
Keywords	Principal Investigator 定量的構造活性相関 / 疎水相互作用 / 非経験的分子軌道法 / log P / 分配係数 / ab initio MO / Log P / ATP / 薬物・タンパク質相互作用 / 情報科学 … More / 電荷移動 / チトクロームP450 / 創薬理論計算化学 / 理論・計算化学 / 分子軌道法 / 分子間相互作用 / charee transfer / uantitative structure-activity relationship / HIV-1 protease / chytcrome P450 / hydrophobic interaction / ab initio molecular orbital / artition coefficient / サポートベクターマシン / HIV-1-プロテアーゼ / logP / HIV-1プロテアーゼ / clinical data analysis / rational drug design / continuous flow analysis / Quantitative Structure-Activity Relationship / hydrophobicity / partition coefficient / 溶媒和 / 溶媒接触表面積 / 水素結合 / QSAR / n-Octanol / log-P / 臨床データ解析 / 創薬 / 連続フロー分析法 / 疎水性 / Three-Dimensional QSAR / Sugar / Rational Drug Design / Pyrethroid / Plasmon Resonance / Dynamic Three-Dimensional Structure / Drug-Receptor Interaction / ADP Carrier / データベース / 創薬支援システム / 3次元定量的構造活性相関 / 糖 / 論理的薬物設計 / ピレスロイド / プラズモン共鳴 / 動的立体構造 / 薬物-受容体相互作用 / ADP透過担体 / ノイラミニダーゼ阻害剤 / CYP P450 / MMP阻害剤 / トリプシン阻害剤 / フラグメント分子軌道法 / 自由エネルギー変化の線形表現 / 超精密予測 / 分子科学計算 / HIV-1 プロテアーゼ / 炭酸脱水酵素阻害剤 / HIV-1プロテアーゼ阻害剤 / タンパク質の水和エネルギー / 薬物-受容体相互作用エネルギー / フラボノイド / ノイラミニダーゼー抗インフルエンザ剤 / 炭酸脱水酵素-阻害剤 / 疎水相互作用エネルギー / 一般化Born法 / フラグメント型非経験的分子軌道法 / 自由エネルギーの代表項による結合エネルギーの線形表現 … More Except Principal Investigator クリニカルQSAR / 薬学部情報薬局 / clinical QSAR / prediction of drug excretion into breast-milk / prediction of placental drug transport / prediction of drug teratogenicity / education and research in pharmaceutical information transport / information pharmacy / intellectual infrastructure / drug safety information community / クリニアルQSAR / 薬物母乳移行性予測 / 薬物胎盤通過性予測 / 薬物催奇形性予測 / 情報医療薬学教育研究 / 知的共有基盤 / 医薬品安全性情報コミュニティ / continuous flow analysis / on-line titration / on-line extraction / acid dissociation constant / distribution coefficient / flow ratiometry / 分子軌道法 / 理論計算 / Flow ratiometry / フロー分析 / 電離定数 / 解離定数 / 連続フロー析法 / 連続フロー分析法 / オンライン滴定 / オンライン抽出 / 酸解離定数 / 分配係数 / 流量比法 / 社会システム / 医療薬学教育研究 / 情報薬局 / 双方向通信 / 成長型データベース / 薬物催奇形性情報 / 情報コミュニティ / 医薬情報 / 妊婦の服薬調査 / 薬物催奇形性予測システム / 双方向・成長型データベース / 薬物催奇形性 / 医薬情報コミュニティ Less

LERE-QSAR法による薬物・タンパク質相互作用エネルギーの超精密予測 (2)Principal Investigator
- Principal Investigator
  
  中馬寛
- Project Period (FY)
  2015
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  The University of Tokushima
HIGH ACCURACY PREDICTION OF DRUG-PROTEIN INTERACTION; LINEAR EXPRESSION BY REPRESENTATIVE ENERGY TERMSPrincipal Investigator
- Principal Investigator
  
  CHUMAN Hiroshi
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  The University of Tokushima
THEORETICAL AND COMPUTATIONAL ANALYSES OF DRUG-RECEPTOR INTERACTION CONSIDERING HYDROPHOBIC INTERACTIONPrincipal Investigator
- Principal Investigator
  
  CHUMAN Hiroshi
- Project Period (FY)
  2008 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  The University of Tokushima
Theoretical analyses of partition coefficient log P and its application to drug-protein interactionPrincipal Investigator
- Principal Investigator
  
  CHUMAN Hiroshi
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  The University of Tokushima
Effective use of the intellectual sharing basis in the drug safety information community, and application to the education/research in the information pharmacy of our faculty of pharmaceutical sciences.
- Principal Investigator
  
  YAMAUCHI Aiko
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Medical pharmacy
- Research Institution
  The University of Tokushima
医薬情報コミュニティ中核としての薬学部情報薬局の立ち上げと教育研究への活用
- Principal Investigator
  
  YAMAUCHI Aiko
- Project Period (FY)
  2003 – 2004
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  Medical pharmacy
- Research Institution
  The University of Tokushima
Development of system for measurement of distribution coefficients based on flow ratiometry
- Principal Investigator
  
  TANAKA Hideji
- Project Period (FY)
  2002 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  分離・精製・検出法
- Research Institution
  The University of Tokushima
Development of hydrophobic interaction field for rational drug designPrincipal Investigator
- Principal Investigator
  
  CHUMAN Hiroshi
- Project Period (FY)
  2002 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  医薬分子機能学
- Research Institution
  The University of Tokushima
Research and Development of Drug Design Based on Three-Dimensional and Dynamic Structural Change in Molecular Recognition Process.Principal Investigator
- Principal Investigator
  
  CHUMAN Hiroshi
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  医薬分子機能学
- Research Institution
  The University of Tokushima

All 2016 2015 2014 2011 2010 2009 2008 2007 2006 2005 2004 2003 Other

All Journal Article Presentation Book Patent

[Book] 遺伝子医学MOOK2009
- Author(s)
  吉田達貞, 中馬寛
- Total Pages
  5
- Publisher
  (株)メディカルドゥ
- Data Source
  KAKENHI-PROJECT-20590036
[Book] QSAR研究の最前(次世代創薬テクノロジー/実践:インシリコ創薬の最前線)NO.142009
- Author(s)
  中馬寛、吉田達貞
- Publisher
  株式会社メディカルドゥ
- Data Source
  KAKENHI-PROJECT-20590036
[Book] 薬学領域の機器分析学2008
- Author(s)
  中馬寛, 他
- Publisher
  株式会社廣川書店
- Data Source
  KAKENHI-PROJECT-20590036
[Book] 薬学領域の機器分析学2008
- Author(s)
  中馬寛
- Total Pages
  23
- Publisher
  廣川書店
- Data Source
  KAKENHI-PROJECT-20590036
[Book] Modern Methods for Theoretical Physical Chemistry for Biopolymers2006
- Author(s)
  Hiroshi Chuman
- Publisher
  Elsevier
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Book] Chapter 12. Drug Discovery Using Grid Technology In Theoretical Physical Chemistry of Biopolymers2006
- Author(s)
  Hiroshi Chuman
- Publisher
  Elsevier(in press)
- Data Source
  KAKENHI-PROJECT-17590126
[Book] "Drug Discovery Using Grid Technology (Chapter 12)" in Modern Methods for Theoretical Physical Chemistry for Biopolymers2006
- Author(s)
  Hiroshi Chuman, et al.
- Publisher
  Elsevier
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17590126
[Book] "Drug Discovery Using Grid Technology (Chapter 12) " in Modern Methods for Theoretical Physical Chemistry for Biopolymers2006
- Author(s)
  Hiroshi Chuman, et al.
- Publisher
  Elsevier
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17590126
[Book] "Drug Discovery Using Grid Technology (Chapter 12)" in Modern Methods for Theoretical Physical Chemistry for Biopolymers2006
- Author(s)
  Hiroshi Chuman, et al.
- Publisher
  Elsivier
- Data Source
  KAKENHI-PROJECT-17590126
[Book] "Drug Discovery Using Grid Technology (Chapter 12)" in Modern Methods for Theoretical Physical Chemistry for Biopolymers2006
- Author(s)
  Hiroshi Chuman
- Publisher
  Elsevier
- Data Source
  KAKENHI-PROJECT-18590034
[Book] 次世代の農薬開発-ニューナノテクノロジーによる探索と創製2003
- Author(s)
  中馬寛
- Total Pages
  13
- Publisher
  ソフトサイエンス社
- Data Source
  KAKENHI-PROJECT-15659039
[Journal Article] A simple and efficient dispersion correction to the Hartree-Fock theory (3): A comprehensive performance comparison of HF-Dtq with MP2 and DFT-Ds2016
- Author(s)
  Tatsusada Yoshida, Takahisa Hayashi, Akira Mashima, Katsunori Sasahara, Hiroshi Chuman
- Journal Title
  
  Bioorganic & Medicinal Chemistry Letters
  
  Volume: 26 Issue: 2 Pages: 589-593
- DOI
  10.1016/j.bmcl.2015.11.061
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K07888
[Journal Article] A simple and efficient dispersion correction to the Hartree-Fock theory (2): Incorporation of a geometrical correction for the basis set superposition error2016
- Author(s)
  Tatsusada Yoshida, Takahisa Hayashi, Akira Mashima, Hiroshi Chuman
- Journal Title
  
  Bioorganic & Medicinal Chemistry Letters
  
  Volume: 25 Issue: 19 Pages: 4179-4184
- DOI
  10.1016/j.bmcl.2015.08.008
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K07888
[Journal Article] Molecular dynamics and density functional studies on the metabolic selectivity of antipsychotic thioridazine by cytochrome P450 2D6: Connection with crystallographic and metabolic results2015
- Author(s)
  Katsunori Sasahara, Akira Mashima, Tatsusada Yoshida, Hiroshi Chuman
- Journal Title
  
  Bioorganic & Medicinal Chemistry
  
  Volume: 23 Issue: 17 Pages: 5459-5465
- DOI
  10.1016/j.bmc.2015.07.043
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K07888
[Journal Article] Connecting Classical QSAR and LERE Analyses Using Modern Molecular Calculations, LERE-QSAR (VI): Hydrolysis of Substituted Hippuric Acid Phenyl Esters by Trypsin2014
- Author(s)
  Akira Mashima, Masahiro Kurahashi, Katsunori Sasahara, Tatsusada Yoshida, Hiroshi Chuman
- Journal Title
  
  Mol. Info.
  
  Volume: 33 Issue: 11-12 Pages: 802-814
- DOI
  10.1002/minf.201400099
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24590051
[Journal Article] Binding Free-Energy Calculation is a Powerful Tool for Drug Optimization: Calculation and Measurement of Binding Free Energy for 7-Azaindole Derivatives to Glycogen Synthase Kinase-3β2014
- Author(s)
  Kunihiro Kitamura, Yunoshin Tamura, Tomokazu Ueki, Koji Ogata, Shigeho Noda, Ryutaro Himeno, Hiroshi Chuman
- Journal Title
  
  J. Chem. Inf. Model.
  
  Volume: 54 Issue: 6 Pages: 1653-1660
- DOI
  10.1021/ci400719v
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24590051
[Journal Article] QSAR Study on the Inhibition Mechanism of Matrix Metalloproteinase-12 by Arylsulfone Analogues Based on Molecular Orbital Calculations2014
- Author(s)
  S. Hitaoka, H. Chuman, and K. Yoshizawa
- Journal Title
  
  Org. Biomol. Chem.
  
  Volume: 13 Issue: 3 Pages: 793-806
- DOI
  10.1039/c4ob01843e
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PLANNED-24109014, KAKENHI-PROJECT-24590051
[Journal Article] A Simple and Efficient Dispersion Correction to the Hartree-Fock Theory2014
- Author(s)
  Tatsusada Yoshida, Akira Mashima, Katsunori Sasahara, Hiroshi Chuman
- Journal Title
  
  Bioorganic & Medicinal Chemistry Letters
  
  Volume: Vol.24 Issue: 4 Pages: 1037-1042
- DOI
  10.1016/j.bmcl.2014.01.020
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23710272, KAKENHI-PROJECT-24590051
[Journal Article] Density Functional Theory Study of Hydrogen Atom Abstraction from a Series of para-Substituted Phenols : Why is the Hammett Constant Able to Represent Radical Reaction Rates?2011
- Author(s)
  Tatsusada Yoshida, Koji Hirozumi, Masataka Harada, Seiji Hitaoka, Hiroshi Chuman
- Journal Title
  
  J.Org.Chem. in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Correlation Analyses on Binding Affinity of Substituted Benzenesulfonamides with Carbonic Anhydrase Using Ab Initio MO Calculations on Their Complex Structures (II)2011
- Author(s)
  Yohei Munei, Kazunori Shimamoto, Masataka Harada, Tatsusada Yoshida, Hiroshi Chuman
- Journal Title
  
  Bioorganic & Medicinal Chemistry Letters Vol.21, No.1
  
  Pages: 141-144
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Correlation Analyses on Binding Affinity of Substituted Benzenesulfonamides with Carbonic Anhydrase Using ab Initio MO Calculations on Their Complex Structures2010
- Author(s)
  Tatsusda Yoshida, Yohei Munei, Seiji Hitaoka, Hiroshi Chuman
- Journal Title
  
  Journal of Chemical Information and Modeling Vol.50, No.5
  
  Pages: 850-860
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Correlation Analyses on Binding Affinity of Sialic Acid Analogues with Influenza Virus Neuraminidase-1 Using ab Initio MO Calculations on Their Complex Structures2010
- Author(s)
  Seiji Hitaoka, Masataka Harada, Tatsusada Yoshida, Hiroshi Chuman
- Journal Title
  
  Journal of Chemical Information and Modeling Vol.50, No.10
  
  Pages: 1796-1805
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Assessment of Free Energy Expression in RISM Integral Equation Theory : Theoretical Prediction of Partition Coefficients Revisited2010
- Author(s)
  Seiichiro Ten-no, Jaewoon Jung, Hiroshi Chuman, Yukio Kawashima
- Journal Title
  
  Molecular Physics Vol.108
  
  Pages: 327-332
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Novel Quantitative Structure-Activity Studies of HIV-1 Protease Inhibitors of the Cyclic Urea Type Using Descriptors Derived from Molecular Dynamics and Molecular Orbital Calculations2009
- Author(s)
  Tatsusada Yoshida, Fujita, Toshio, Hiroshi Chuman
- Journal Title
  
  Current Compter-Aided Drug Design Vol.5, No.1
  
  Pages: 38-55
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Quantitative Structure-Activity Relationship for Inhibition of CYP2B6 and CYP3A4 by Azole Compounds - Comparison with Their Binding Affinity2009
- Author(s)
  Daisuke Itokawa, Aiko Yamauchi, Hiroshi Chuman
- Journal Title
  
  QSAR Comb. Sci. Vol.28, No.6-7
  
  Pages: 629-639
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Expression and Molecular Dynamics Studies on Effect of Amino Acid Substitutions at Arg344 in Human Cathepsin A on the Protein Local Conformation2009
- Author(s)
  Tatsusada Yoshida, Yoshito Kadota, Seiji Hitaoka, Eri Kori, Hiroshi Chuman
- Journal Title
  
  BBA-Proteins Proteomics Vol.1794
  
  Pages: 1693-1699
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Simple computational models of type I/type II cells in Fas signaling-induced apoptosis2008
- Author(s)
  Noriaki Okazaki, Ryoji Asano, Takashi Kinoshita, Hiroshi Chuman
- Journal Title
  
  Journal of Theoretical Biology Vol.250, No.4
  
  Pages: 621-633
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Toward basic understanding of the partition coefficient log P and its application in QSAR2008
- Author(s)
  Hiroshi Chuman
- Journal Title
  
  SAR and QSAR in Environmental Research Vol.19
  
  Pages: 71-79
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Toward basic understanding of the partition coefficient log Pand its ap p lication in QSAR2008
- Author(s)
  Hiroshi Chuman
- Journal Title
  
  SAR QSAR Environ Res 19
  
  Pages: 71-79
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Toward basic understanding of the partition coefficient log P and its application in QSAR2008
- Author(s)
  Hiroshi, Chuman
- Journal Title
  
  SAR QSAR Environ 19
  
  Pages: 71-79
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Journal Article] QSAR Study of Cyclic Urea Type HIV-1 PR Inhibitors Using Ab Initio MO Calculation of Their Complex with HIV-1 PR2008
- Author(s)
  Tatsusada Yoshida, Kenji Yamagishi, Hiroshi Chuman
- Journal Title
  
  QSAR & Combinatorial Science Vol.27, No.6
  
  Pages: 694-703
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Toward basic understanding of the partition coefficient log P and its application in QSAR2008
- Author(s)
  Hiroshi Chuman
- Journal Title
  
  SAR QSAR Environ. Res. 19
  
  Pages: 71-79
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18590034
[Journal Article] Toward basic understanding of the partition coefficient log P and its application in QSAR2008
- Author(s)
  Hiroshi Chuman
- Journal Title
  
  SAR QSAR Environ.Res. 19
  
  Pages: 71-79
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18590034
[Journal Article] Flavonoids as Substrates and Inhibitors of Myeloperoxidase : Molecular Actions of Aglycone and Metabolites2008
- Author(s)
  Yuko Shiba, Takashi Kinoshita, Hiroshi Chuman, Yutaka Taketani, Eiji Takeda, Yoji Kato, Michitaka Naito, Kyuichi Kawabata, Akari Ishisaka, Junji Terao, Yoshichika Kawai
- Journal Title
  
  Chemical Research in Toxicology Vol.21, No.8
  
  Pages: 1600-1609
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20590036
[Journal Article] Dmg Discovery Using Grid Technology(Chapter 12)2006
- Author(s)
  Hiroshi, Chuman
- Journal Title
  
  Modem Methods for Theoretical Physical Chemistry for Biopolymers, Elsevier
  
  Pages: 227-247
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Journal Article] Analyses of the partition coefficient, log P, using Ab Initio Moparameter and accessible surface area of solute molecules2004
- Author(s)
  Hiroshi Chuman
- Journal Title
  
  J.Pharm.Sci. 93(11)
  
  Pages: 2681-2697
- Data Source
  KAKENHI-PROJECT-15659039
[Patent] 構造反応特性相関解析装置および構造反応特性相関解析プログラム2005
- Inventor(s)
  中馬寛, 佐々木幹夫, ガイベ・アハマド・アンマール, ヒマンシュ・ターグラ
- Industrial Property Rights Holder
  中馬寛, 佐々木幹夫, ガイベ・アハマド・アンマール, ヒマンシュ・ターグラ
- Filing Date
  2005-10-14
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17590126
[Patent] 化学構造の類似度を算出し化合物の安全性を評価する方法及びこれを用いた医薬品安全性情報システム2005
- Inventor(s)
  山内あい子, 中馬寛, 坂本久美子, 佐々木幹夫, ガイベ・アハマドアンマール, 中田栄子
- Industrial Property Rights Holder
  国立大学法人徳島大学, セイラシステム(株), 東日本電信電話(株)
- Filing Date
  2005-12-01
- Data Source
  KAKENHI-PROJECT-17590126
[Patent] 構造反応特性相関解析装置および構造反応特性相関解析プログラム2005
- Inventor(s)
  中馬寛, 佐々木幹夫, ガイベ・アハマド・アンマール, ヒマンシュ・ターグラ
- Industrial Property Rights Holder
  国立大学法人徳島大学, セイラシステム(株), (株)エイチシーエル・テクノロジィーズ・ジャパン
- Filing Date
  2005-10-14
- Data Source
  KAKENHI-PROJECT-17590126
[Patent] 化学構造の類似度を算出し化合物の安全性を評価する方法及びこれを用いた医薬品安全性情報システム2005
- Inventor(s)
  山内あい子, 中馬寛, 坂本久美子, 佐々木幹夫, ガイベ・アハマドアンマール, 中田栄子
- Industrial Property Rights Holder
  山内あい子, 中馬寛, 坂本久美子, 佐々木幹夫, ガイベ・アハマドアンマール, 中田栄子
- Filing Date
  2005-12-01
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17590126
[Presentation] Crystallographic Binding Poses and Metabolites of Antipsychotic Thioridazine by Cytochrome P450 2D6; LC-UV-MS/MS Analysis, Molecular Dynamics and Density Functional Calculations2015
- Author(s)
  笹原克則, 馬島彬, 吉田達貞, 中馬寛
- Organizer
  日本薬物動態学会第30回年回
- Place of Presentation
  タワーホール船堀, 東京都・江戸川区
- Year and Date
  2015-11-12
- Data Source
  KAKENHI-PROJECT-15K07888
[Presentation] ヒストン脱アセチル化酵素 (HDAC) －ベンズアミド系阻害剤複合体形成に関する結合自由エネルギー変化の非経験的分子軌道法に基づく相関解析2015
- Author(s)
  濱野綾那, 谷山萌, 吉田達貞, 中馬寛
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ, 新潟県・新潟市
- Year and Date
  2015-11-30
- Data Source
  KAKENHI-PROJECT-15K07888
[Presentation] 分子動力学法及び密度汎関数法を用いたCYP2D6 におけるチオリダジンの代謝機構の解明: 結晶結合ポーズと代謝物の関係について2015
- Author(s)
  笹原克則, 馬島彬, 吉田達貞, 中馬寛
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ, 新潟県・新潟市
- Year and Date
  2015-11-30
- Data Source
  KAKENHI-PROJECT-15K07888
[Presentation] 分子科学計算を用いた自由エネルギー変化の線形則に基づくトリプシンの触媒反応メカニズムの詳細解析2015
- Author(s)
  馬島彬, 倉橋昌大, 西村兆二朗, 吉田達貞, 中馬寛
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ, 新潟県・新潟市
- Year and Date
  2015-11-30
- Data Source
  KAKENHI-PROJECT-15K07888
[Presentation] リガンド－タンパク質複合体の分散力相互作用の検討: Hartree-Fock 理論に対する分散力補正2015
- Author(s)
  吉田達貞, 林敬久, 倉橋昌大, 馬島彬, 笹原克則, 中馬寛
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ, 新潟県・新潟市
- Year and Date
  2015-11-30
- Data Source
  KAKENHI-PROJECT-15K07888
[Presentation] QM/MM (ONIOM) 法を用いたシステインプロテアーゼによる馬尿酸フェニルエステル加水分解反応の理論的考察2015
- Author(s)
  倉橋昌大, 馬島彬, 吉田達貞, 中馬寛
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ, 新潟県・新潟市
- Year and Date
  2015-11-30
- Data Source
  KAKENHI-PROJECT-15K07888
[Presentation] 分子科学計算を用いた HIV-1 protease とアロフェニルノルスタチン骨格を持つ化合物との複合体の精密相互作用解析2015
- Author(s)
  林敬久, 福田修平, 岡尚生, 吉田達貞, 中馬寛
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ, 新潟県・新潟市
- Year and Date
  2015-11-30
- Data Source
  KAKENHI-PROJECT-15K07888
[Presentation] 分子科学計算を用いたチオリダジンのCYP2D6による代謝過程の非経験的解析（Ⅰ）2014
- Author(s)
  吉田達貞, 笹原克則, 馬島彬, 中馬寛
- Organizer
  第４２回構造活性相関シンポジウム
- Place of Presentation
  くまもと森都心プラザ, 熊本県・熊本市
- Year and Date
  2014-11-13
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] Linear Expression by Representative Energy Terms: a Novel QSAR Procedure Using Theoretical Computations on Protein–Ligand Complexes2014
- Author(s)
  Hiroshi Chuman
- Organizer
  International Symposium on Compound Design Technology
- Place of Presentation
  英国大使館（東京都）
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] 生体分子科学計算と定量的構造活性相関2014
- Author(s)
  中馬寛
- Organizer
  第４１回生体分子討論会
- Place of Presentation
  九州大学西新プラザ, 福岡市・福岡県
- Year and Date
  2014-06-06
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] 触媒反応機構に基づいたインフルエンザ・ノイラミニダーゼとシアル酸誘導体との相互作用解析2014
- Author(s)
  芝田雄登, 吉田達貞, 中馬寛
- Organizer
  第４２回構造活性相関シンポジウム
- Place of Presentation
  くまもと森都心プラザ, 熊本県・熊本市
- Year and Date
  2014-11-13
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] 腫瘍懐死因子α変換酵素（TACE）とεラクタムヒドロキサム酸誘導体のLIE法に基づく解析, LERE-QSAR解析と検証2014
- Author(s)
  野々下航, 濱野綾那, 岸優作, 吉田達貞, 中馬寛
- Organizer
  第４２回構造活性相関シンポジウム
- Place of Presentation
  くまもと森都心プラザ, 熊本県・熊本市
- Year and Date
  2014-11-14
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] A New Era for Drug Discover: Revisitig Claddical QSAR and Seeking New Ones2014
- Author(s)
  Hiroshi Chuman
- Organizer
  Asia Hub for e-Drug Discovery Symposium 2014
- Place of Presentation
  Chengdu University, Chengdu (China)
- Year and Date
  2014-11-13
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] 馬尿酸フェニルエステルのシステインとセリンプロテアーゼの加水分解反応の分子科学計算による詳細解析(Ⅰ)2014
- Author(s)
  倉橋昌大, 馬島彬, 吉田達貞, 中馬寛
- Organizer
  第４２回構造活性相関シンポジウム
- Place of Presentation
  くまもと森都心プラザ, 熊本県・熊本市
- Year and Date
  2014-11-13
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] 分子科学計算を用いたHIV-1 proteaseとアロフェニルノルスタチン骨格を持つ化合物と複合体の精密相互作用解析2014
- Author(s)
  林敬久, 野脇静, 吉田達貞, 中馬寛
- Organizer
  第４２回構造活性相関シンポジウム
- Place of Presentation
  くまもと森都心プラザ, 熊本県・熊本市
- Year and Date
  2014-11-13
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] リガンド-タンパク質の複合体形成における分散力相互座用の検討：LERE-QSAR解析における結合相互作用エネルギー項の定量的評価2014
- Author(s)
  吉田達貞, 林敬久, 倉橋昌大, 馬島彬, 笹原克則, 中馬寛
- Organizer
  第４２回構造活性相関シンポジウム
- Place of Presentation
  くまもと森都心プラザ, 熊本県・熊本市
- Year and Date
  2014-11-14
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] High Precision Prediction of Protein-Ligand Binding Free-Energy Change : Linear Expression by Representative Energy Terms2014
- Author(s)
  Hiroshi Chuman
- Organizer
  5th French-Japanese Workshop on Computational Methods in Chemistry
- Place of Presentation
  University of Strasbourg, Strasbourg (France)
- Year and Date
  2014-06-30
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] 薬をコンピューターでデザインする2011
- Author(s)
  中馬寛
- Organizer
  大学コンソーシアムやまがた産官学連携講演
- Place of Presentation
  山形大学農学部(山形)
- Year and Date
  2011-01-18
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] A Novel QSAR Procedure Using Full Ab Initio MO Calculations on Ligand-Protein Complexs : Carbonic Anhydrase with Substituted Benzenesulfonamides2010
- Author(s)
  Yohei Munei, Seiji Hitaoka, Kazunori Shimamoto, Tatsusada Yoshida, Hiroshi Chuman
- Organizer
  The Second Decennial Meeting between Seoul National University and the University of Tokushima
- Place of Presentation
  Awaji
- Year and Date
  2010-12-23
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Toward a New Age of Quantitative Structure-Activity Relationship : Linear Expression by Representative Energy terms2010
- Author(s)
  Hiroshi Chuman
- Organizer
  Asia Hub for e-Drug Discovery Symposium(AHeDD)2010
- Place of Presentation
  Yonsei University(Seoul, Korea)
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Correlation Analyses on Binding Affinity of Sialic Acid Analogues with Influenza Virus Neuraminidase-1 Using Ab Initio MO Calculations on Their Complex Structures2010
- Author(s)
  Seiji Hitaoka, Hiroshi Matoba, Eri Kori, Masataka Harada, Tatsusada Yoshida, Hiroshi Chuman
- Organizer
  Asia Hub for e-Drug Discovery Symposium (AHeDD) 2010
- Place of Presentation
  Seoul, Korea
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Toward a New Age of Quantitative Structure-Activity Relationship : Linear Expression by Representative Energy terms2010
- Author(s)
  Hiroshi Chuman
- Organizer
  Asia Hub for e-Drug Discovery Symposium (AHeDD) 2010
- Place of Presentation
  Seoul, Korea
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Protein Inhibitors Using Full Ab Initio Molecular Orbital Calculations on Their Complex Structures with Protein2010
- Author(s)
  Hiroshi Chuman
- Organizer
  CTDDR-2010
- Place of Presentation
  Central Drug research Institute(Lucknow, India)
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Molecular Modeling of Human Neuraminidase-1 : Structure-Activity Relation of Sialic Acid Analogs against Neuraminidases as Validation of Modeling2010
- Author(s)
  Seiji Hitaoka, Masataka Harada, Eri Kori, Hiroshi Matoba, Satoshi Kitao, Motiur Md.Rahman, Tatsusada Yoshida, Daisuke Tsuji, Takatsugu Hirokawa, Kouji Itou, Hiroshi Chuman
- Organizer
  Asia Hub for e-Drug Discovery Symposium (AHeDD) 2010
- Place of Presentation
  Seoul, Korea
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] 計算創薬の基礎(企業を牽引する計算科学高度技術者の育成)2010
- Author(s)
  中馬寛
- Organizer
  第1回シミュレーションスクール
- Place of Presentation
  ニチイ学館(神戸)
- Year and Date
  2010-10-27
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Hansch-Fujita法の分子論的解釈と分子科学計算を用いたenzymatic QSAR2010
- Author(s)
  中馬寛
- Organizer
  構造活性フォーラム2010-QSAR (パラダイムの分化と深化)
- Place of Presentation
  コープイン京都(京都)
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] 非経験的分子軌道法計算による薬物-タンパク質複合体相互作用解析に基づく新しい定量的構造活性相関2010
- Author(s)
  中馬寛
- Organizer
  第14回農薬相模セミナー
- Place of Presentation
  (財)相模中央化学研究所(神奈川県綾瀬市)
- Year and Date
  2010-01-07
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Comparative QSAR Analysis of a Series of Benzene Sulfonamide Inhibitors Using Ab Initio Fragment MO Calculation of Their Complex Structures with Carbonic Anhydrase2009
- Author(s)
  Tatsusada Yoshida, Yohei Munei, Koji Hirozumi, Hiroshi Chuman
- Organizer
  CMTPI 2009 (Fifth International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Reseour)
- Place of Presentation
  Istanbul, Turkey
- Year and Date
  2009-07-05
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Expression and Molecular Dynamics Studies on Effect of Amino Acid Substitutions at Arg344 in Human Cathepsin A2009
- Author(s)
  Seiji Hitaoka, Eri Kori, Masataka Harada, Yoshito Kadota, Yasushi Horikawa, Tatsusada Yoshida, Kouji Itou, Hiroshi Chuman
- Organizer
  The Second French-Japanese Workshop on Computational Methods in Chemistry 2009
- Place of Presentation
  Nishinomiya
- Year and Date
  2009-11-28
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] QSAR Study of Cyclic Urea Type HIV-1 Protease Inhibitors Using Ab Initio Fragment MO Calculation of Their Complex Structures with HIV-1 Protease2009
- Author(s)
  Hiroshi Chuman, Toshio Fujita, Seiji Hitaoka, Eri Kori, Tatsusada Yoshida
- Organizer
  CMTPI 2009 (Fifth International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Reseour)
- Place of Presentation
  Istanbul, Turkey
- Year and Date
  2009-07-05
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Reprofiling the Hansch-Fujita Type of Classical QSAR Using Modern Molecular Calculations2009
- Author(s)
  中馬寛
- Organizer
  近畿化学協会コンピュータ化学部会例会
- Place of Presentation
  大阪科学技術センター(大阪)
- Year and Date
  2009-01-19
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] 非経験的フラグメント分子軌道法の定量的構造活性相関への応用2009
- Author(s)
  中馬寛
- Organizer
  シミュレーション技術の革新と実用化基盤の構築シンポジウム
- Place of Presentation
  東京大学弥生講堂一条ホール(東京)
- Year and Date
  2009-10-28
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Ab initio Fragment MO Study of Complexes between Influenza Neuraminidase-1 and Various Type of Sialic Acid Analogues2009
- Author(s)
  Seiji Hitaoka, Eri Kori, Masataka Harada, Tatsusada Yoshida, Hiroshi Chuman
- Organizer
  The Second French-Japanese Workshop on Computational Methods in Chemistry 2009
- Place of Presentation
  Nishinomiya
- Year and Date
  2009-11-28
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] 新しいQSARの構築を目指して2009
- Author(s)
  中馬寛
- Organizer
  2008年度第2回CACフォーラムセミナー
- Place of Presentation
  東京大学山上会館(東京)
- Year and Date
  2009-03-02
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] FMO法による亜鉛含有タンパク質阻害剤の定量的構造活性相関解析2009
- Author(s)
  中馬寛
- Organizer
  CREST-FMO 2009研究会
- Place of Presentation
  みずほ情報総合研究所(東京)
- Year and Date
  2009-03-07
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] QSAR Study of Cyclic Urea Type HIV-1 Protease Inhibitors Using Ab Initio Fragment MO Calculation of Their Complex Structures with HIV-1 Protease2009
- Author(s)
  Hiroshi Chuman
- Organizer
  CMTPI 2009
- Place of Presentation
  Istanbul, Turkey
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Reprofiling the HanschFujita Type of Classical QSAR Using Modern Molecular Calculations2008
- Author(s)
  Tatsusada Yoshida, Kazuya Nagaoka, Toshio Fujita, Hiroshi Chuman
- Organizer
  The 8th China-Japan Joint Symposium on Drug Design and Development
- Place of Presentation
  Kobe
- Year and Date
  2008-11-03
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] QSAR Study of Cyclic Urea Type HIV-1 Protease Inhibitors Using Ab Initio MO Calculation of Their Complex Structures with HIV-1 Protease2008
- Author(s)
  Hiroshi Chuman, Tatsusada Yoshida
- Organizer
  French-Japanese Workshop on Computational Methods in Chemistry, Strasbourg
- Place of Presentation
  ULP
- Year and Date
  2008-06-26
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Theoretical Consideration on Enzymatic QSAR ; Energy Decomposition Analysis of the Hammett Constant and QSAR of MMP-9 Inhibitors Using Ab Initio MO Calculations2008
- Author(s)
  Kazuya Nagaoka, Miku Oonishi, Tatsusada Yoshida, Hiroshi Chuman
- Organizer
  The 8th China-Japan Joint Symposium on Drug Design and Development
- Place of Presentation
  Kobe
- Year and Date
  2008-11-06
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] HIV-1プロテアーゼ-阻害剤複合体の分子軌道法計算に基づくQSAR2008
- Author(s)
  中馬寛
- Organizer
  2007年度エミール研究会セミナー
- Place of Presentation
  コープイン・京都(京都)
- Year and Date
  2008-04-23
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Links between QSAR and Molecular Simulation2008
- Author(s)
  Hiroshi Chuman
- Organizer
  The Annual Meeting 2008 of Korean Society for Bioinformatics and Systems Biology, Cheong-joo
- Place of Presentation
  Korea
- Year and Date
  2008-11-13
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Reprofiling the Hansch-Fujita Type of Classical QSAR Using Modern Molecular Calculations2008
- Author(s)
  Hiroshi Chuman
- Organizer
  The 8th China-Japan Joint Symposium on Drug Design and Development
- Place of Presentation
  神戸国際会議場(神戸)
- Year and Date
  2008-11-03
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] QSAR Study of Cyclic Urea Type HIV-1 Protease Inhibitors Using Ab Initio MO Calculation of Their Complex Structures with HIV-1 Protease2008
- Author(s)
  Hiroshi Chuman
- Organizer
  French-Japanese Workshop on Computational Methods in chemistry
- Place of Presentation
  Strasbourg, ULP
- Year and Date
  2008-06-26
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Links between QSAR and Molecular Simulation2008
- Author(s)
  Hiroshi Chuman
- Organizer
  The Annual Meeting 2008 of Korean Society for Bioinformatics and Systems Biology
- Place of Presentation
  Cheong-joo, Korea
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] Positive Feedback of Caspase Activation as a Possible Mechanism of Life-Death Decision in Fas Signaling-Induced Apoptosis2008
- Author(s)
  Noriaki Okazaki, Hiroshi Chuman
- Organizer
  The 2008 Annual Conference of the Japanese Society for Bioinformatics (JSBi2008)
- Place of Presentation
  Osaka
- Year and Date
  2008-12-15
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] 定量的構造活性相関と分子科学計算・シミュレーション2008
- Author(s)
  中馬寛
- Organizer
  JST-CREST/CBIシンポジウム「フラグメント分子軌道法-その基礎と応用-」
- Place of Presentation
  学術総合センター(東京)
- Year and Date
  2008-10-21
- Data Source
  KAKENHI-PROJECT-20590036
[Presentation] 創薬インフォマテイクス特論-QSAR研究の最前線-2007
- Author(s)
  中馬寛
- Organizer
  平成19年度「生命情報科学技術者養成コース」
- Place of Presentation
  産業技術総合研究所(東京)
- Year and Date
  2007-08-07
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Frontier of QSAR2007
- Author(s)
  Hiroshi, Chuman
- Organizer
  QCS-Seminar
- Place of Presentation
  Hiroshima
- Year and Date
  2007-06-22
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] 創薬科学に貢献するシミュレーション技術2007
- Author(s)
  中馬寛
- Organizer
  第2回「革新的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コンベンションホール(東京)
- Year and Date
  2007-07-12
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Informatics for Drug Discovery, Frontier of QSAR2007
- Author(s)
  Hiroshi, Chuman
- Organizer
  Training course for Informatics for Drug Discovery
- Place of Presentation
  Tokyo
- Year and Date
  2007-08-07
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] 創薬インフオマテイクス特論-QSAR研究の最前線2007
- Author(s)
  中馬寛
- Organizer
  平成19「年度生命情報科学技術者養成コース」
- Place of Presentation
  産業技術総合研究所(東京)
- Year and Date
  2007-08-07
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Simulation Techniques Contributed to Drug Discover2007
- Author(s)
  Hiroshi, Chuman
- Organizer
  Symposium on Revolutionary Simulation Software
- Place of Presentation
  Tokyo
- Year and Date
  2007-07-12
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Link between Traditional QSAR and Molecular Simulation2007
- Author(s)
  Hiroshi Chuman
- Organizer
  Asia Hub for e-Drug Discovery Symposium 2007 (AHeDD2007)
- Place of Presentation
  East China University of Science and Technology (ECUST) (China)
- Year and Date
  2007-04-17
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Link between Traditional QSAR and Molecular Simulation2007
- Author(s)
  Hiroshi, Chuman
- Organizer
  Asia Hub for a-Drug Discovery Symposium 2007(AHeDD2007)
- Place of Presentation
  China
- Year and Date
  2007-04-17
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] 定量的構造活性相関の最前線2007
- Author(s)
  中馬寛
- Organizer
  量子生命科学セミナー
- Place of Presentation
  広島大学広島大学理学部(広島)
- Year and Date
  2007-06-22
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Toward Basic Understanding of The Partition Coefficient Log P and Its Applications in QSAR2007
- Author(s)
  Hiroshi, Chuman
- Organizer
  Fourth International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources(CMTPI-2007)
- Place of Presentation
  Moscow, Russia
- Year and Date
  2007-09-02
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Toward Basic Understanding of The Partition Coefficient Log P and Its Applications in QSAR2007
- Author(s)
  中馬寛
- Organizer
  Fourth International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources(CMTPI-2007)
- Place of Presentation
  Hotel Salute(ロシア、モスクワ)
- Year and Date
  2007-09-02
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Link between Traditional QSAR and Molecular Simulation2007
- Author(s)
  Hiroshi Chuman
- Organizer
  Asia Hub for e-Drug Discovery Symposium 2007(AHeDD2007)
- Place of Presentation
  East China University of Science and Technology(ECUST)(China)
- Year and Date
  2007-04-17
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Fundamental,Structure Based and Clinical QSAR2006
- Author(s)
  中馬寛
- Organizer
  CACフォーラム一泊研修会
- Place of Presentation
  福芦原温泉清風荘(福井)
- Year and Date
  2006-09-21
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Prediction of Teratogenicity from Chemical Structures2006
- Author(s)
  Hiroshi, Chuman
- Organizer
  Seminar on Constructing Drug-Safety Community
- Place of Presentation
  Tokushima
- Year and Date
  2006-10-30
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Informatics for Drug Discovery, Frontier of QSAR(2)2006
- Author(s)
  Hiroshi, Chuman
- Organizer
  Training course for Informatics for
- Place of Presentation
  Tokyo
- Year and Date
  2006-09-06
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Hydrophobicity and its Importance in Drug Discovery and Safety2006
- Author(s)
  Hiroshi, Chuman
- Organizer
  Seminar
- Place of Presentation
  Seoul, Korea
- Year and Date
  2006-05-24
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Informatics for Drug Discovery, Frontier of QSAR(1)2006
- Author(s)
  Hiroshi, Chuman
- Organizer
  Training course for Informatics for Drug Discovery
- Place of Presentation
  Tokyo
- Year and Date
  2006-08-08
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Fundamental, Structure Based and Clinical QSAR2006
- Author(s)
  Hiroshi, Chuman
- Organizer
  CAC-Forum
- Place of Presentation
  Fukui
- Year and Date
  2006-09-21
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] 創薬インフォマティクス特論、QSARの最前線(1)2006
- Author(s)
  中馬寛
- Organizer
  創薬インフォマティクス技術者養成コース
- Place of Presentation
  独立行政法人産業技術総合研究所生命情報科学研究センター(東京)
- Year and Date
  2006-08-08
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] 催奇形性の化学構造からの予測2006
- Author(s)
  中馬寛
- Organizer
  「医薬品安全性情報コミュニティの構築にむけて」最終報告講演会
- Place of Presentation
  徳島大学(徳島)
- Year and Date
  2006-10-30
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] 創薬インフォマティクス特論、QSARの最前線(2)2006
- Author(s)
  中馬寛
- Organizer
  創薬インフォマティクス技術者養成コース
- Place of Presentation
  独立行政法人産業技術総合研究所生命情報科学研究センター(東京)
- Year and Date
  2006-09-06
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] Hydrophobicity and its Importance in Drug Discovery and Safety2006
- Author(s)
  Hiroshi Chuman
- Organizer
  Seminar
- Place of Presentation
  Yonsei University, Seoul, Korea
- Year and Date
  2006-05-24
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-18590034
[Presentation] 大規模分子科学計算を用いる定量的構造活性相関；自由エネルギー変化の線形表現に基づくリガンド―タンパク質結合自由エネルギー変化の超精密予測
- Author(s)
  中馬寛
- Organizer
  新学術領域研究「天然ケミカルバイオロジー地区ミニシンポジウム」
- Place of Presentation
  千葉大学薬学部120周年記念講堂（千葉県）
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] Estimation of Non-covalent Interactions with a New Efficient Dispersion Corrected HF Approach
- Author(s)
  Tatsusada Yoshida, Akira Mashima, Katsunori Sasahara, Hiroshi Chuman
- Organizer
  生命医薬情報学連合大会（JSBi2013）
- Place of Presentation
  タウンホール船堀 (東京都）
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] Development of a Novel QSAR using Molecular Calculations:Linear Expression by Representative Energy Terms
- Author(s)
  Chuman H
- Organizer
  Joint Conference on Informatics in Biology, Medicine and Pharmacology
- Place of Presentation
  タワーホール船堀（東京都）
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] 分子科学計算によるアゾール系化合物－ヒトCYP2B6複合体における相互作用解析に基づくLERE-QSAR解析
- Author(s)
  坂本修平, 笹原克則, 吉田達貞, 中馬寛
- Organizer
  第41回構造活性相関シンポジウム
- Place of Presentation
  関西学院会館　(兵庫県）
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] Estimation of Non-covalent Interactions with a New Efficient Dispersion Corrected HF Approach
- Author(s)
  Tatsusada Yoshida, Akira Mashima, Katsunori Sasahara, Yuto Shibata, MasahiroEguchi, Seiji Hitaoka, and Hiroshi Chuman
- Organizer
  the 7th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources
- Place of Presentation
  Grand Hilton Hotel, Seol (Korea)
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] LERE-QSAR Analysis of Binding of γ-Lactum Hydroxamic Acid Derivatives with Tumor Necrosis Factor-Alpha Converting Enzyme
- Author(s)
  Tatsusada Yoshida, Koh Nonoshita, Takuya Sugimoto, Ayana Hamano, Akihiro Kawano, Shuhei Sakamoto, Hiroshi Chuman
- Organizer
  生命医薬情報学連合大会（JSBi2013）
- Place of Presentation
  タウンホール船堀 (東京都）
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] ヒドロキサム酸系MMP阻害剤のLERE-QSAR解析
- Author(s)
  杉本拓弥, 野々下航, 濱野綾那, 林敬久, 吉田達貞, 中馬寛
- Organizer
  第41回構造活性相関シンポジウム
- Place of Presentation
  関西学院会館　(兵庫県）
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] New Starting Points toward Construction of Fundamental QSAR : Wonderful Gifts from Hansch and Fujita
- Author(s)
  中馬寛
- Organizer
  Hansch-藤田法50周年記念シンポジウム
- Place of Presentation
  京都大学芝蘭会館稲盛ホール（京都）
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] LERE-QSAR解析の精密化とその検証
- Author(s)
  吉田達貞, 馬島彬, 笹原克則, 芝田雄登, 江口将大, 比多岡清司, 中馬寛
- Organizer
  第41回構造活性相関シンポジウム
- Place of Presentation
  関西学院会館　(兵庫県）
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] 自由エネルギー変化の代表エネルギー項による線形表現を用いた定量的構造活性相関解析の構築とその応用表現
- Author(s)
  中馬寛
- Organizer
  構造生物応用研究会
- Place of Presentation
  アークホテル仙台通り (宮城県）
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] インフルエンザ・ノイラミニダーゼとピロリジン系化合物との相互作用解析
- Author(s)
  河野明大, 芝田雄登, 林敬久, 倉橋昌大, 吉田達貞, 中馬寛
- Organizer
  第41回構造活性相関シンポジウム
- Place of Presentation
  関西学院会館　(兵庫県）
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] 自由エネルギー変化の線形表現に基づくリガンド―タンパク質結合自由エネルギー変化の超精密予測
- Author(s)
  中馬寛
- Organizer
  構造活性相関フォーラム
- Place of Presentation
  理化学研究所横浜キャンパス交流楝ホール (神奈川県）
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] Linear Expression by Representative Energy Terms: a Novel QSAR Procedure Using Theoretical Computations on Protein–Ligand Complexes
- Author(s)
  Hiroshi Chuman
- Organizer
  International Symposium on Compound Design Technology
- Place of Presentation
  英国総領事館 (大阪府)
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] A Novel QSAR Precedure Using Theoretical Computations on Protein-Ligand Complexes
- Author(s)
  Hiroshi Chuman
- Organizer
  the 7th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources
- Place of Presentation
  Grand Hilton Hotel, Seol (Korea)
- Invited
- Data Source
  KAKENHI-PROJECT-24590051
[Presentation] Binding Mechanism of KNI-272 with HIV-1 Protease
- Author(s)
  Takahisa Hayashi, Takuya Sugimoto, Shuhei Sakamoto, Akihiro Kawano, Tatsusada Yoshida, Hiroshi Chuman
- Organizer
  生命医薬情報学連合大会（JSBi2013）
- Place of Presentation
  タウンホール船堀 (東京都）
- Data Source
  KAKENHI-PROJECT-24590051

1. YAMAUCHI Aiko (30122253)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. YOSHIDA Tatsusada (80527557)

# of Collaborated Projects: 2 results

# of Collaborated Products: 26 results
3. TANAKA Hideji (40207121)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
4. GOTO Satoru (50253232)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. TERADA Hiroshi (00035544)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 吉澤一成

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

CHUMAN Hiroshi 中馬 寛

Research Projects

Research Products

Co-Researchers

LERE-QSAR法による薬物・タンパク質相互作用エネルギーの超精密予測 (2)Principal Investigator

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HIGH ACCURACY PREDICTION OF DRUG-PROTEIN INTERACTION; LINEAR EXPRESSION BY REPRESENTATIVE ENERGY TERMSPrincipal Investigator

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THEORETICAL AND COMPUTATIONAL ANALYSES OF DRUG-RECEPTOR INTERACTION CONSIDERING HYDROPHOBIC INTERACTIONPrincipal Investigator

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Theoretical analyses of partition coefficient log P and its application to drug-protein interactionPrincipal Investigator

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Effective use of the intellectual sharing basis in the drug safety information community, and application to the education/research in the information pharmacy of our faculty of pharmaceutical sciences.

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医薬情報コミュニティ中核としての薬学部情報薬局の立ち上げと教育研究への活用

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Development of system for measurement of distribution coefficients based on flow ratiometry

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Development of hydrophobic interaction field for rational drug designPrincipal Investigator

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Research and Development of Drug Design Based on Three-Dimensional and Dynamic Structural Change in Molecular Recognition Process.Principal Investigator

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[Book] 遺伝子医学MOOK2009

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Total Pages

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[Book] QSAR研究の最前(次世代創薬テクノロジー/実践:インシリコ創薬の最前線)NO.142009

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[Book] 薬学領域の機器分析学2008

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[Book] 薬学領域の機器分析学2008

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[Book] Modern Methods for Theoretical Physical Chemistry for Biopolymers2006

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Description

CHUMAN Hiroshi 中馬寛