Research field (3):
Biological, health, and medical informatics
, Bio-, chemical, and soft-matter physics
, Biophysics
Research keywords (3):
バイオインフォマティクス
, 分子シミュレーション
, 生物物理学
Research theme for competitive and other funds (21):
2018 - 2023 生体発動分子の機能発現に関する構造ダイナミクス研究
2013 - 2016 Molecular simulation study on the rotation mechanism of V-ATPase
2011 - 2013 Pループ型ATP加水分解酵素の機能発現機構の解明
2011 - 2012 Structure-function relationships of Rad51-Swi5-Sfr1 complex for homologous recombination
2010 - 2012 Study on rotation mechanisms of F1 molecular motor using molecular simulations
2009 - 2010 Pループ型ATP加水分解酵素の機能発現機構の解明
2006 - 2010 Molecular mechanism of chemical-mechanical energy conversion of F1 molecular motor studied by molecular simulations
2008 - 2009 トランスポーチンによるタンパク質の核内輸送の構造生物学
2007 - 2009 Protein folding simulation on the large scale computer system
2007 - 2008 分子シミュレーションによる膜タンパク質の機能的ダイナミクスの研究
2003 - 2007 分子シミュレーションによる蛋白質フォールディング・分子認識機構の解明
2005 - 2006 分子シミュレーションによる膜タンパク質の機能的ダイナミクスの研究
2001 - 2004 Prediction of structure and function of protein complexes
2002 - 2003 Study of Vibrational Energy Transfer in Proteins
2001 - 2001 蛋白質化学機能の立体構造からの第一原理的予測法の開発
2000 - 2001 蛋白質のレアイベントに対する準平衡論的分子シミュレーション法の開発
1999 - 2001 Development of a Parallel Programming Environment with Dynamic Resource Management Facilities
2000 - 2000 蛋白質化学機能の立体構造からの第一原理的予測法の開発
1998 - 2000 Efficient Processor Allocation Policies for Massively Parallel Systems
1998 - 1998 蛋白質の安定性・折れたたみ機構における水・変性剤の分子メカニズム
計算機を用いた生体分子の構造、機能の理論的解析
Show all
Papers (216):
Masao Inoue, Tomohiko Hayashi, Satoshi Yasuda, Minoru Kato, Mitsunori Ikeguchi, Takeshi Murata, Masahiro Kinoshita. Statistical-Mechanics Analyses on Thermodynamics of Protein Folding Constructed by Privalov and Co-Workers. The journal of physical chemistry. B. 2024. 128. 41. 10110-10125
Mitsugu Araki, Toru Ekimoto, Kazuhiro Takemura, Shigeyuki Matsumoto, Yunoshin Tamura, Hironori Kokubo, Gert-Jan Bekker, Tsutomu Yamane, Yuta Isaka, Yukari Sagae, et al. Molecular Dynamics Unveils Multiple-Site Binding of Inhibitors with Reduced Activity on the Surface of Dihydrofolate Reductase. Journal of the American Chemical Society. 2024
Kylie Chinner, Niklas Grabicki, Rei Hamaguchi, Mitsunori Ikeguchi, Kazushi Kinbara, Sayaka Toyoda, Kohei Sato, Oliver Dumele. Nanohoops in Membranes: Confined Supramolecular Spaces within Phospholipid Bilayer Membranes. Chemical Science. 2024
Jae-Hyun Park, Kouki Kawakami, Naito Ishimoto, Tatsuya Ikuta, Mio Ohki, Toru Ekimoto, Mitsunori Ikeguchi, Dong-Sun Lee, Young-Ho Lee, Jeremy R H Tame, et al. Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2. Nature communications. 2023. 14. 1. 7150-7150
Tsutomu Yamane, Takahiro Nakayama, Toru Ekimoto, Masao Inoue, Keigo Ikezaki, Hiroshi Sekiguchi, Masahiro Kuramochi, Yasuo Terao, Ken Judai, Minoru Saito, et al. Comparison of the Molecular Motility of Tubulin Dimeric Isoforms: Molecular Dynamics Simulations and Diffracted X-ray Tracking Study. International Journal of Molecular Sciences. 2023. 24. 20. 15423-15423
Nagata T, Yamada T, Hayashi T, Hikiri S, Kobayashi N, Ikeguchi M, Katahira M, Kinoshita M, Yanagawa H. STRUCTURAL AND PHYSICAL BASIS FOR THE HIGHER AFFINITY TO ONCOPROTEIN MDM2 OF A PEPTIDE SELECTED WITH MRNA DISPLAY OVER TUMOR SUPPRESSOR P53. 64th Annual Meeting of the Biophysical Society, San Diego, 2020.2.15-19. 2020
馬場剛史, 小甲裕一, 佐藤美和, 中川寛之, 宮口郁子, MA Biao, 松本篤幸, 徳久淳師, 大田雅照, 池口満徳, et al. Research on pocket prediction using 3D-CNN. 構造活性相関シンポジウム講演要旨集. 2019. 47th (CD-ROM)
Protein Conformational Dynamics
Springer Cham Heidelberg New York Dordrecht London 2014
1分子ナノバイオ計測
化学同人 2014
最新分子マシン ナノで働く“高度な機械”を目指して
化学同人 2008
Lectures and oral presentations (97):
Finite-size effect on the charging free energy in the alchemical perturbation and “Warp Drive” method
(Biophysical society 62th Annual Meeting 2018)
In silico binding affinity analysis for phosphodiesterase-10A inhibitors
(情報計算科学生物学会2017年大会 2017)
In silico protein design for functional modification of the photoactivated adenylate cyclase
(情報計算科学生物学会2017年大会 2017)
Finite-size effect on the charging free energy in the alchemical perturbation and ``warp drive'' method
(情報計算科学生物学会2017年大会 2017)
Apo- and antagonist-binding structures of vitamin D receptor ligand-binding domain elucidated by SAXS experiments and MD simulations
(第55回日本生物物理学会年会 2017)
- 1989 The University of Tokyo The Faculty of Engineering Department of Mathematical Engineering and Information Physics
Professional career (1):
博士(農学) (東京大学)
Work history (2):
Yokohama City University International College of Arts and Sciences Medical Life Science Graduate School of Medical Life Science Department of Medical Life Science Professor