Masami Uebayasi

发表

Fast and accurate molecular dynamics simulation of a protein using a special-purpose computer

Makoto Taiji, Yuto Komeiji, Masami Uebayasi, 1997, J. Comput. Chem..

Peach-Grape system - a high performance simulator for biomolecules

Yuto Komeiji, Masami Uebayasi, 2002 .

Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: An application of fragment molecular orbital method

Kotoko Nakata, Tsuguchika Kaminuma, Masami Uebayasi, 2005, J. Comput. Chem..

Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein

Yuto Komeiji, Masami Uebayasi, Kazuo Kitaura, 2005, Comput. Biol. Chem..

Fast and accurate molecular dynamics simulation of a protein using a special‐purpose computer

Makoto Taiji, Yuto Komeiji, Masami Uebayasi, 1997 .

Fragment molecular orbital method: application to polypeptides

Yutaka Akiyama, Tsuguchika Kaminuma, Masami Uebayasi, 2000 .

Fragment molecular orbital method: application to molecular dynamics simulation, ‘ab initio FMO-MD’

Yuichi Inadomi, Yutaka Ueno, Yuto Komeiji, 2003 .

Pair interaction molecular orbital method: an approximate computational method for molecular interactions

Masami Uebayasi, Kazuo Kitaura, Toshio Asada, 1999 .

Fragment molecular orbital method: analytical energy gradients

Yuto Komeiji, Masami Uebayasi, Kazuo Kitaura, 2001 .

Molecular dynamics simulations revealed Ca2+‐dependent conformational change of Calmodulin

Yutaka Ueno, Yuto Komeiji, Masami Uebayasi, 2002, FEBS letters.

Molecular dynamics simulation of trp-repressor/operator complex: analysis of hydrogen bond patterns of protein–DNA interaction

Ichiro Yamato, Yuto Komeiji, Masami Uebayasi, 2000 .

3D Structure Based Atomic Charge Calculation for Molecular Mechanics and Molecular Dynamics Simulations

Tsuguchika Kaminuma, Masami Uebayasi, Yoshiro Nakata, 2001 .

Molecular Dynamics Simulation of the Hin-Recombinase—DNA Complex

Yuto Komeiji, Masami Uebayasi, Y. Komeiji, 1999 .

The fragment molecular orbital method for geometry optimizations of polypeptides and proteins.

Masami Uebayasi, Kazuo Kitaura, Toyokazu Ishida, 2007, The journal of physical chemistry. A.