Yuto Komeiji

According to our database, Yuto Komeiji authored at least 9 papers between 1997 and 2020.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2020

Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7).

Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Yuma Handa, Kaori Fukuzawa, Yuto Komeiji, Yoshio Okiyama, Shigenori Tanaka

J. Chem. Inf. Model., 2020

2009

Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.

Yuto Komeiji, Takeshi Ishikawa, Yuji Mochizuki, Hiroshi Yamataka, Tatsuya Nakano

J. Comput. Chem., 2009

2008

Water-mediated interactions in the CRP-cAMP-DNA complex: Does water mediate sequence-specific binding at the DNA primary-kink site?

Bryan M. B. VanSchouwen, Heather L. Gordon, Stuart M. Rothstein, Yuto Komeiji, Kaori Fukuzawa, Shigenori Tanaka

Comput. Biol. Chem., 2008

2007

Change in a protein's electronic structure induced by an explicit solvent: An <i>ab initio</i> fragment molecular orbital study of ubiquitin.

Yuto Komeiji, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura

J. Comput. Chem., 2007

Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab <i>initio</i> fragment molecular orbital study.

Kaori Fukuzawa, Yuto Komeiji, Yuji Mochizuki, Akifumi Kato, Tatsuya Nakano, Shigenori Tanaka

J. Comput. Chem., 2007

2006

Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab initio fragment molecular orbital study.

Kaori Fukuzawa, Yuto Komeiji, Yuji Mochizuki, Akifumi Kato, Tatsuya Nakano, Shigenori Tanaka

J. Comput. Chem., 2006

2005

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

Tadashi Nemoto, Dmitri G. Fedorov, Masami Uebayasi, Kenji Kanazawa, Kazuo Kitaura, Yuto Komeiji

Comput. Biol. Chem., 2005

2001

Parallel molecular dynamics simulation of a protein.

Yuto Komeiji, Makoto Haraguchi, Umpei Nagashima

Parallel Comput., 2001

1997

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

Yuto Komeiji, Masami Uebayasi, Ryo Takata, Akihiro Shimizu, Keiji Itsukashi, Makoto Taiji

J. Comput. Chem., 1997