Application of Support Vector Machine to Three-Dimensional Shape-Based Virtual Screening Using Comprehensive Three-Dimensional Molecular Shape Overlay with Known Inhibitors. - Tomohiro Sato; Hitomi Yuki; Daisuke Takaya; Shunta Sasaki; Akiko Tanaka; Teruki Honma (J. Chem. Inf. Model., 2012)

Prediction of Ligand-Induced Structural Polymorphism of Receptor Interaction Sites Using Machine Learning. - Daisuke Takaya; Tomohiro Sato; Hitomi Yuki; Shunta Sasaki; Akiko Tanaka; Shigeyuki Yokoyama; Teruki Honma (J. Chem. Inf. Model., 2013)

Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins. - Kaori Fukuzawa; Koichiro Kato; Chiduru Watanabe; Yusuke Kawashima; Yuma Handa; Ami Yamamoto; Kazuki Watanabe 005; Tatsuya Ohyama; Kikuko Kamisaka; Daisuke Takaya; Teruki Honma (J. Chem. Inf. Model., 2021)

FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method. - Daisuke Takaya; Chiduru Watanabe; Shunpei Nagase; Kikuko Kamisaka; Yoshio Okiyama; Hirotomo Moriwaki; Hitomi Yuki; Tomohiro Sato; Noriyuki Kurita; Yoichiro Yagi; Tatsuya Takagi; Norihito Kawashita; et al. (J. Chem. Inf. Model., 2021)