Structure-based Molecular Simulations Reveal the Enhancement of Biased Brownian Motions in Single-headed Kinesin. - Ryo Kanada; Takeshi Kuwata; Hiroo Kenzaki; Shoji Takada (PLoS Comput. Biol., 2013)

High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning. - Koichiro Kato; Tomohide Masuda; Chiduru Watanabe; Naoki Miyagawa; Hideo Mizouchi; Shumpei Nagase; Kikuko Kamisaka; Kanji Oshima; Satoshi Ono; Hiroshi Ueda; Atsushi Tokuhisa; Ryo Kanada; et al. (J. Chem. Inf. Model., 2020)

Coarse-Grained Diffraction Template Matching Model to Retrieve Multiconformational Models for Biomolecule Structures from Noisy Diffraction Patterns. - Atsushi Tokuhisa; Ryo Kanada; Shuntaro Chiba; Kei Terayama; Yuta Isaka; Biao Ma; Narutoshi Kamiya; Yasushi Okuno (J. Chem. Inf. Model., 2020)

Using incomplete Cholesky factorization to increase the time step in molecular dynamics simulations. - Takumi Washio; Xiaoke Cui; Ryo Kanada; Jun-ichi Okada; Seiryo Sugiura; Yasushi Okuno; Shoji Takada; Toshiaki Hisada (J. Comput. Appl. Math., 2022)

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)