Watanabe Hirofumi

ワタナベヒロフミ | Watanabe Hirofumi

Affiliation and department：

Research field (1)： Biological, health, and medical informatics

Research keywords (7)： In silico drug design , Fragment molecular orbital method , molecular simulation , Molecular dynamics , solvation effects , chemoinformatics , bayesian statistics

Papers (44)：

Makoto Ikejo, Hirofumi Watanabe, Kohei Shimamura, Shigenori Tanaka. Improvement of the Force Field for β-d-Glucose with Machine Learning. Molecules (Basel, Switzerland). 2021. 26. 21
Chiduru Watanabe, Hirofumi Watanabe, Yoshio Okiyama, Daisuke Takaya. Development of an Automated FMO Calculation Protocol to Construction of FMO Database. Recent Advances of the Fragment Molecular Orbital Method. 2021. 183-203
Yosuke Suzuki, Hirofumi Watanabe, Yoshio Okiyama, Kuniyoshi Ebina, Shigenori Tanaka. Comparative study on model parameter evaluations for the energy transfer dynamics in Fenna-Matthews-Olson complex. Chemical Physics. 2020. 539. 110903-110903
Esaki Tsuyoshi, Shimada Tomohiro, Ikeda Kazuyoshi, Kumazawa Keiko, Takahashi Kazutoshi, Watanabe Reiko, Masuda Tomohide, Watanabe Hirofumi, Shimizu Yugo, Okada Akitoshi, et al. Open Innovation Platform using Cloud-based Applications and Collaborative Space: A Case Study of Solubility Prediction Model Development. Chem-Bio Informatics Journal. 2020. 20. 0. 5-18
Fumiyuki Shirai, Takeshi Tsumura, Yoko Yashiroda, Hitomi Yuki, Hideaki Niwa, Shin Sato, Tsubasa Chikada, Yasuko Koda, Kenichi Washizuka, Nobuko Yoshimoto, et al. Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. Journal of medicinal chemistry. 2019. 62. 7. 3407-3427

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MISC (25)：

丸山正, 嶋根康弘, 岩沢美佐子, 秦田勇二, 吉田尊雄, 高木善弘, 大石和恵, 田中成典, 渡邉博文, 徐逢祺, et al. Analysis of Biological Interaction by Fragment Molecular Orbital (FMO) Method : Analyses of the interactions between measles virus hemagglutinin and their receptors. Annual report of the earth simulator. 2016. 251-257
福澤薫, 渡邉千鶴, 沖山佳生, 渡邉博文, 本間光貴, 望月祐志, 田中成典. フラグメント分子軌道法のインシリコ創薬への応用. 日本化学会講演予稿集. 2015. 95th. 2. 232
幸瞳, 渡邉博文, 本間光貴. 第1章構造解析のための先端技術の高度化 6.分子動力学シミュレーションの医薬品設計への応用. 実験医学. 2014. 32. 10
WATANABE Chiduru, WATANABE Hirofumi, FUKUZAWA Kaori, OKIYAMA Yoshio, MOCHIZUKI Yuji, PARKER Lorien J, YUKI Hitomi, HONMA Teruki. Prediction of activity cliff among Pim1 inhibitors using FMO and MM-PBSA calculations. CBI学会大会. 2014. 2014. 24
Miki Nakano, Hirofumi Watanabe, Stuart M. Rothstein, Shigenori Tanaka. Comparative Characterization of Short Monomeric Polyglutamine Peptides by Replica Exchange Molecular Dynamics Simulation (vol 114, pg 7056, 2010). JOURNAL OF PHYSICAL CHEMISTRY B. 2010. 114. 31. 10234-10234

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Patents (1)：

新規なヌクレオチド類縁体及びオリゴヌクレオチド類縁体

Books (3)：

Recent Advances of the Fragment Molecular Orbital Method
2021
実験医学増刊 Vol.32 No.10 構造生命科学で何がわかるのか,何ができるのか〜最先端のタンパク質解析技術から構造情報の活用事例,創薬展開まで (実験医学増刊 Vol. 32-10)
羊土社 2014 ISBN:4758103399
Amberによる生体高分子シミュレーション入門
サイエンスハウス 2011 ISBN:486281008X

Lectures and oral presentations (40)：

フラグメント分子軌道法のインシリコ創薬への応用
(日本化学会講演予稿集 2015)
量子化学計算による相互作用エネルギーの空間分布と PDB 中リガンド原子の空間分布の解析
(CBI学会2014年大会フォーカストセッション 2014)
Prediction of activity cliff among Pim1 inhibitors using FMO and MM-PBSA calculations
(CBI学会大会 2014)
Development of Substituent Conversion Database and Searching System Based on ChEMBLdb for Medicinal Chemists
(情報計算化学生物学会大会予稿集 2011)
21aEF-6 Structural Change of Nuclear Receptor by Ligand with Linear Response Theory
(Meeting abstracts of the Physical Society of Japan 2010)

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Professional career (1)：

博士(理学) (東邦大学)

Committee career (4)：

2019/11 - 現在 CBI学会若手の会コアメンバー
2018/11 - 現在 CBI学会年会プログラム委員
2016/04 - 2020/03 遠隔講義「計算生命科学の基礎」コーディネーター
2016/11 - 2017/01 ポスト「京」重点課題1 研究紹介コンテンツ企画選考委員

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