Minoru Sakurai - researchr alias

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Viewing Publication 1 - 8 from 8

2019

Development of an ATP force field for coarse-grained simulation of ATPases and its application to the maltose transporterRyosuke Hirano, Tsubasa Yabuchi, Minoru Sakurai, Tadaomi Furuta. jcc, 40(24):2096-2102, 2019. [doi]

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. jcc, 33(27):2210, 2012. [doi]

Evaluation of protein-ligand binding free energy focused on its entropic componentsShuntaro Chiba, Yuichi Harano, Roland Roth, Masahiro Kinoshita, Minoru Sakurai. jcc, 33(5):550-560, 2012. [doi]

2006

Accurate evaluation of the absorption maxima of retinal proteins based on a hybrid QM/MM methodAzuma Matsuura, Hiroyuki Sato, Hirohiko Houjou, Shino Saito, Tomohiko Hayashi, Minoru Sakurai. jcc, 27(14):1623-1630, 2006. [doi]

Linear-scaling molecular orbital calculations for the pKa values of ionizable residues in proteinsKazuki Ohno, Minoru Sakurai. jcc, 27(7):906-916, 2006. [doi]

2005

A quantum chemical method for rapid optimization of protein structuresMitsuhito Wada, Minoru Sakurai. jcc, 26(2):160-168, 2005. [doi]

1995

An Application of the Reaction Field Theory to Hydrated Metal Cations in the Framework of the MNDO, AM1, and OM3 MethodsTakao Furuki, Minoru Sakurai, Yoshio Inoue. jcc, 16(3):378-384, 1995.

1994

General Parameterization of a Reaction Field Theory Combined with the Boundary Element MethodTakao Furuki, Akihiro Umeda, Minoru Sakurai, Yoshio Inoue, Riiciro Chujo, Kazuaki Harata. jcc, 15(1):90-104, 1994.

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