Nobuaki Yasuo

Improved Method of Structure-Based Virtual Screening via Interaction-Energy-Based Learning

Nobuaki Yasuo, Masakazu Sekijima · Journal of Chemical Information and Modeling · 2019 · 126 citations

Engineering, Machine Learning, Hit Identification +22

Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates

Ryunosuke Yoshino, Nobuaki Yasuo, Masakazu Sekijima · Scientific Reports · 2020 · 111 citations · Full text

Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target

Shuntaro Chiba, Kazuyoshi Ikeda, Takashi Ishida et al. · Scientific Reports · 2015 · 46 citations · Full text

Drug Target, Hit Identification, Tyrosine-protein Kinase Yes +18

Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach

Naoki Wakui, Ryunosuke Yoshino, Nobuaki Yasuo et al. · Journal of Molecular Graphics and Modelling · 2017 · 46 citations · Full text

Engineering, Inhibitor Complexes, Molecular Biology +19

Pharmacophore Modeling for Anti-Chagas Drug Design Using the Fragment Molecular Orbital Method

Ryunosuke Yoshino, Nobuaki Yasuo, D.K. Inaoka et al. · PLoS ONE · 2015 · 43 citations · Full text