New AMBER force field parameters of heme iron for cytochrome P450s determined by quantum chemical calculations of simplified models. - Akifumi Oda; Noriyuki Yamaotsu; Shuichi Hirono (J. Comput. Chem., 2005)

Comparison of Consensus Scoring Strategies for Evaluating Computational Models of Protein-Ligand Complexes. - Akifumi Oda; Keiichi Tsuchida; Tadakazu Takakura; Noriyuki Yamaotsu; Shuichi Hirono (J. Chem. Inf. Model., 2006)

Evaluation of the searching abilities of HBOP and HBSITE for binding pocket detection. - Akifumi Oda; Noriyuki Yamaotsu; Shuichi Hirono (J. Comput. Chem., 2009)

Structure-Based CoMFA As a Predictive Model - CYP2C9 Inhibitors As a Test Case. - Kazuya Yasuo; Noriyuki Yamaotsu; Hiroaki Gouda; Hideki Tsujishita; Shuichi Hirono (J. Chem. Inf. Model., 2009)

In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discovery. - Noriyuki Yamaotsu; Shuichi Hirono (J. Comput. Aided Mol. Des., 2018)

Identification of novel EED-EZH2 PPI inhibitors using an in silico fragment mapping method. - Kensuke Misawa; Noriyuki Yamaotsu; Shuichi Hirono (J. Comput. Aided Mol. Des., 2021)