Taiji Makoto

タイジマコト | Taiji Makoto

Affiliation and department：
Job title： Deputy Director

Research field (2)： Computational science , High-performance computing

Research theme for competitive and other funds (8)：

2019 - 2022 A basic development of the next-generation special-purpose computer system for molecular dynamics simulations
2007 - 2009 Developing Shape Language and Building a Special Purpose Computer for Simulating Abstract Chemical Systems
2006 - 2007 炎症発癌を標的としたロヴァスタチンの結合構造情報に基づく化合物探索
1999 - 2000 A Study on Emergence of Game and dynamical Complexity by Covpled Dynamical Recog
1997 - 1998 量子系の物性計算のための専用計算機の研究

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Papers (15)：

Ryuma Sato, Yoshiharu Mori, Risa Matsui, Noriaki Okimoto, Junpei Yamamoto, Makoto Taiji. Theoretical insights into the DNA repair function of Arabidopsis thaliana cryptochrome-DASH. BIOPHYSICS AND PHYSICOBIOLOGY. 2020. 17. 113-124
Noriaki Okimoto, Takao Otsuka, Yoshinori Hirano, Makoto Taiji. Use of the Multilayer Fragment Molecular Orbital Method to Predict the Rank Order of Protein-Ligand Binding Affinities: A Case Study Using Tankyrase 2 Inhibitors. ACS OMEGA. 2018. 3. 4. 4475-4485
Noriaki Okimoto, Atsushi Suenaga, Makoto Taiji. Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulations. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2017. 35. 15. 3221-3231
Yoko Shigeno-Nakazawa, Takuma Kasai, Sewon Ki, Elina Kostyanovskaya, Jana Pawlak, Junya Yamagishi, Noriaki Okimoto, Makoto Taiji, Mariko Okada, Jody Westbrook, et al. A pre-metazoan origin of the CRK gene family and co-opted signaling network. SCIENTIFIC REPORTS. 2016. 6
Takao Otsuka, Noriaki Okimoto, Makoto Taiji. Assessment and Acceleration of Binding Energy Calculations for Protein-Ligand Complexes by the Fragment Molecular Orbital Method. JOURNAL OF COMPUTATIONAL CHEMISTRY. 2015. 36. 30. 2209-2218

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MISC (15)：

大塚教雄, 沖本憲明, 齋藤大明, 泰地真弘人. 量子化学計算による薬物分子の代謝反応性部位と初期反応過程に関する考察. 分子科学討論会講演プログラム&要旨(Web). 2019. 13th
沖本憲明, 平野秀典, 藤田茂雄, 泰地真弘人. 計算創薬研究における薬物結合ポケットの柔軟性に関する研究. 分子シミュレーション討論会講演要旨集. 2017. 31st
大塚教雄, 沖本憲明, 泰地真弘人. 多層フラグメント分子軌道法を利用した効率的なタンパク-リガンド間相互作用の計算. 分子シミュレーション討論会講演要旨集. 2015. 29th
平野秀典, 沖本憲明, 藤田茂雄, 泰地真弘人. 分子シミュレーションを用いたドラッグデザインに関する研究. 分子シミュレーション討論会講演要旨集. 2014. 28th
小松輝久, 沖本憲明, 泰地真弘人. 分子動力学によるタンパク質と低分子の親和性予測 2. 日本物理学会講演概要集. 2014. 69. 2

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