Enhancement of Ordinal CoMFA by Ridge Logistic Partial Least Squares. - Takanori Ohgaru; Ryo Shimizu; Kousuke Okamoto; Norihito Kawashita; Masaya Kawase; Yuko Shirakuni; Rika Nishikiori; Tatsuya Takagi (J. Chem. Inf. Model., 2008)

Mordred: a molecular descriptor calculator. - Hirotomo Moriwaki; Yu-Shi Tian; Norihito Kawashita; Tatsuya Takagi (J. Cheminformatics, 2018)

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)

Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy. - Kenichiro Takaba; Chiduru Watanabe; Atsushi Tokuhisa; Yoshinobu Akinaga; Biao Ma; Ryo Kanada; Mitsugu Araki; Yasushi Okuno; Yusuke Kawashima; Hirotomo Moriwaki; Norihito Kawashita; Teruki Honma; et al. (J. Comput. Chem., 2022)