Estimation of the Diffusion Coefficients of Small Molecules by Diffusion Measurements with Agar-gel and Theoretical Molecular Modeling

Released on J-STAGE: April 30, 2022 | Volume 22 Pages 13-20

Shuichi Miyamoto, Kazumi Shimono

Molecular geometry-dependent atomic charge calculation with modified charge equilibration method

Released on J-STAGE: February 25, 2009 | Volume 9 Pages 30-40

Kozo Aoki, Shigenori Tanaka, Tatsuya Nakano

Interpretable Drug Response Prediction via Optimal Transport-Guided Importance of Drug-Gene Relationships

Released on J-STAGE: September 12, 2025 | Volume 25 Pages 36-52

Mohammed Aburidi

A Novel Fragment Recommendation Workflow using Direct and Indirect Transfer of SAR According to Integrated Similarities of Scaffold Motifs and SAR Trends: Application to Identifying Factor Xa Inhibitors

Released on J-STAGE: March 04, 2017 | Volume 17 Pages 1-18

Tsukasa Ishihara, Kenichi Mori, Ryosuke Munakata, Ayako Moritomo

Structural Stability and Binding Ability of SARS-CoV-2 Main Protease with GC376: A Stereoisomeric Covalent Ligand Analysis by FMO calculation

Released on J-STAGE: May 17, 2024 | Volume 24 Pages 13-24

Yuya Seki, Chiduru Watanabe, Norihiko Tani, Kikuko Kamisaka, Tatsuya Ohyama, Daisuke Takaya, Teruki Honma