Research keywords (8):
生体高分子
, フラグメント分子軌道法
, 非経験的分子軌道法
, 分子軌道法
, DNA
, Fragment MO Protein
, Ab Initio MO
, Molecular Orbital Method
Research theme for competitive and other funds (2):
フラグメント分子軌道法プログラムの開発と生体系への応用
Development of fragment molecular orbital method program (ABINIT-MP)
Papers (96):
Yoshio Okiyama, Tatsuya Nakano, Chiduru Watanabe, Kaori Fukuzawa, Yuto Komeiji, Katsunori Segawa, Yuji Mochizuki. Acceleration of Environmental Electrostatic Potential Using Cholesky Decomposition with Adaptive Metric (CDAM) for Fragment Molecular Orbital (FMO) Method. Bulletin of the Chemical Society of Japan. 2021. 94. 1. 91-96
Yuji Mochizuki, Tatsuya Nakano, Kota Sakakura, Yoshio Okiyama, Hiromasa Watanabe, Koichiro Kato, Yoshinobu Akinaga, Shinya Sato, Jun-inchi Yamamoto, Katsumi Yamashita, et al. The ABINIT-MP Program. Recent Advances of the Fragment Molecular Orbital Method. 2021. 53-67
Kaori Fukuzawa, Chiduru Watanabe, Yoshio Okiyama, Tatsuya Nakano. How to Perform FMO Calculation in Drug Discovery. Recent Advances of the Fragment Molecular Orbital Method. 2021. 93-125
Yuji MOCHIZUKI, Kota SAKAKURA, Hiromasa WATANABE, Koji OKUWAKI, Koichiro KATO, Naoki WATANABE, Yoshio OKIYAMA, Kaori FUKUZAWA, Tatsuya NAKANO. Development Status of ABINIT-MP in 2020. Journal of Computer Chemistry, Japan. 2020. 19. 4. 142-145
Yuji MOCHIZUKI, Tatsuya NAKANO, Kota SAKAKURA, Koji OKUWAKI, Hideo DOI, Toshihiro KATO, Hiroyuki TAKIZAWA, Akira NARUSE, Satoshi OHSHIMA, Tetsuya HOSHINO, et al. Development Status of ABINIT-MP in 2023. J. Comp. Chem. Jpn. 2024. 23. 1. 4-8
MOCHIZUKI Yuji, NAKANO Tatsuya, SAKAKURA Kota, WATANABE Hiromasa, SATO Shinya, OKUWAKI Koji, AKISAWA Kazuki, DOI Hideo, OHSHIMA Satoshi, KATAGIRI Takahiro. FMOプログラムABINIT-MPの整備状況2022. J. Comp. Chem. Jpn. 2023. 21. 4. 106-110
Yuji MOCHIZUKI, Yoshinobu AKINAGA, Kota SAKAKURA, Hiromasa WATANABE, Kouichiro KATO, Naoki WATANABE, Koji OKUWAKI, Tatsuya NAKANO, Kaori FUKUZAWA. Current Status of ABINIT-MP Open Series. Journal of Computer Chemistry, Japan. 2019. 18. 3. 129-131
塚本貴志, 加藤幸一郎, 加藤昭史, 中野達也, 中野達也, 望月祐志, 望月祐志, 福澤薫, 福澤薫, 福澤薫. Implementation of Pair Interaction Energy Decomposition Analysis and Its Applications to Protein-Ligand Systems. Journal of Computer Chemistry, Japan (Web). 2015. 14. 1