Implementation of pi-pi interactions in molecular dynamics simulation. - Hitomi Yuki; Yoshikazu Tanaka; Masayuki Hata; Hidenori Ishikawa; Saburo Neya; Tyuji Hoshino (J. Comput. Chem., 2007)

Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculation. - Daisuke Katagiri; Hideyoshi Fuji; Saburo Neya; Tyuji Hoshino (J. Comput. Chem., 2008)

Force field parameters for rotation around chi torsion axis in nucleic acids. - Hirotaka Ode; Yuri Matsuo; Saburo Neya; Tyuji Hoshino (J. Comput. Chem., 2008)

Mechanism of the decrease in catalytic activity of human cytochrome P450 2C9 polymorphic variants investigated by computational analysis. - Eri Sano; Weihua Li; Hitomi Yuki; Xinli Liu; Tomomi Furihata; Kaoru Kobayashi; Kan Chiba; Saburo Neya; Tyuji Hoshino (J. Comput. Chem., 2010)

A Dominant Factor for Structural Classification of Protein Crystals. - Fei Qi; Satoshi Fudo; Saburo Neya; Tyuji Hoshino (J. Chem. Inf. Model., 2015)

Roles of the respective loops at complementarity determining region on the antigen-antibody recognition. - Tomonori Osajima; Tyuji Hoshino (Comput. Biol. Chem., 2016)

Quantifying the Separation of Positive and Negative Areas in Electrostatic Potential for Predicting Feasibility of Ammonium Sulfate for Protein Crystallization. - Yan Guo; Noritaka Nishida; Tyuji Hoshino (J. Chem. Inf. Model., 2021)

Analysis of Binding Modes of Antigen-Antibody Complexes by Molecular Mechanics Calculation. - Liang Qu; Xinyue Qiao; Fei Qi; Noritaka Nishida; Tyuji Hoshino (J. Chem. Inf. Model., 2021)

Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. - Huiyan Lu; Yuji Komukai; Koto Usami; Yan Guo; Xinyue Qiao; Michiyoshi Nukaga; Tyuji Hoshino (J. Chem. Inf. Model., 2022)