General Parameterization of a Reaction Field Theory Combined with the Boundary Element Method. - Takao Furuki; Akihiro Umeda; Minoru Sakurai; Yoshio Inoue; Riiciro Chujo; Kazuaki Harata (J. Comput. Chem., 1994)

An Application of the Reaction Field Theory to Hydrated Metal Cations in the Framework of the MNDO, AM1, and OM3 Methods. - Takao Furuki; Minoru Sakurai; Yoshio Inoue (J. Comput. Chem., 1995)

A quantum chemical method for rapid optimization of protein structures. - Mitsuhito Wada; Minoru Sakurai (J. Comput. Chem., 2005)

Accurate evaluation of the absorption maxima of retinal proteins based on a hybrid QM/MM method. - Azuma Matsuura; Hiroyuki Sato; Hirohiko Houjou; Shino Saito; Tomohiko Hayashi; Minoru Sakurai (J. Comput. Chem., 2006)

Linear-scaling molecular orbital calculations for the pKa values of ionizable residues in proteins. - Kazuki Ohno; Minoru Sakurai (J. Comput. Chem., 2006)

Evaluation of protein-ligand binding free energy focused on its entropic components. - Shuntaro Chiba; Yuichi Harano; Roland Roth; Masahiro Kinoshita; Minoru Sakurai (J. Comput. Chem., 2012)

Evaluation of protein-ligand binding free energy focused on its entropic components [J. Comp. Chem. 33, 550-560]. - Shuntaro Chiba; Yuichi Harano; Roland Roth; Masahiro Kinoshita; Minoru Sakurai (J. Comput. Chem., 2012)

Development of an ATP force field for coarse-grained simulation of ATPases and its application to the maltose transporter. - Ryosuke Hirano; Tsubasa Yabuchi; Minoru Sakurai; Tadaomi Furuta (J. Comput. Chem., 2019)