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Minoru Sakurai
Publication Activity (10 Years)
Years Active: 1994-2019
Publications (10 Years): 1
Top Topics
Information Theory
Free Energy
Clustering Algorithm
Drug Discovery
Top Venues
J. Comput. Chem.
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Publications
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Ryosuke Hirano
,
Tsubasa Yabuchi
,
Minoru Sakurai
,
Tadaomi Furuta
Development of an ATP force field for coarse-grained simulation of ATPases and its application to the maltose transporter.
J. Comput. Chem.
40 (24) (2019)
Shuntaro Chiba
,
Yuichi Harano
,
Roland Roth
,
Masahiro Kinoshita
,
Minoru Sakurai
Evaluation of protein-ligand binding free energy focused on its entropic components [J. Comp. Chem. 33, 550-560].
J. Comput. Chem.
33 (27) (2012)
Shuntaro Chiba
,
Yuichi Harano
,
Roland Roth
,
Masahiro Kinoshita
,
Minoru Sakurai
Evaluation of protein-ligand binding free energy focused on its entropic components.
J. Comput. Chem.
33 (5) (2012)
Azuma Matsuura
,
Hiroyuki Sato
,
Hirohiko Houjou
,
Shino Saito
,
Tomohiko Hayashi
,
Minoru Sakurai
Accurate evaluation of the absorption maxima of retinal proteins based on a hybrid QM/MM method.
J. Comput. Chem.
27 (14) (2006)
Kazuki Ohno
,
Minoru Sakurai
Linear-scaling molecular orbital calculations for the pKa values of ionizable residues in proteins.
J. Comput. Chem.
27 (7) (2006)
Mitsuhito Wada
,
Minoru Sakurai
A quantum chemical method for rapid optimization of protein structures.
J. Comput. Chem.
26 (2) (2005)
Takao Furuki
,
Minoru Sakurai
,
Yoshio Inoue
An Application of the Reaction Field Theory to Hydrated Metal Cations in the Framework of the MNDO, AM1, and OM3 Methods.
J. Comput. Chem.
16 (3) (1995)
Takao Furuki
,
Akihiro Umeda
,
Minoru Sakurai
,
Yoshio Inoue
,
Riiciro Chujo
,
Kazuaki Harata
General Parameterization of a Reaction Field Theory Combined with the Boundary Element Method.
J. Comput. Chem.
15 (1) (1994)