Yuto Komeiji

Publication Activity (10 Years)

Years Active: 1997-2020
Publications (10 Years): 1

Top Topics

Human Immunodeficiency Virus

Quantitative Structure Activity

Top Venues

J. Chem. Inf. Model.

Publications

Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Yuma Handa, Kaori Fukuzawa, Yuto Komeiji, Yoshio Okiyama, Shigenori Tanaka
Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7). J. Chem. Inf. Model. 60 (7) (2020)
Yuto Komeiji, Takeshi Ishikawa, Yuji Mochizuki, Hiroshi Yamataka, Tatsuya Nakano
Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation. J. Comput. Chem. 30 (1) (2009)
Bryan M. B. VanSchouwen, Heather L. Gordon, Stuart M. Rothstein, Yuto Komeiji, Kaori Fukuzawa, Shigenori Tanaka
Water-mediated interactions in the CRP-cAMP-DNA complex: Does water mediate sequence-specific binding at the DNA primary-kink site? Comput. Biol. Chem. 32 (3) (2008)
Kaori Fukuzawa, Yuto Komeiji, Yuji Mochizuki, Akifumi Kato, Tatsuya Nakano, Shigenori Tanaka
fragment molecular orbital study. J. Comput. Chem. 28 (13) (2007)
Yuto Komeiji, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura
fragment molecular orbital study of ubiquitin. J. Comput. Chem. 28 (10) (2007)
Kaori Fukuzawa, Yuto Komeiji, Yuji Mochizuki, Akifumi Kato, Tatsuya Nakano, Shigenori Tanaka
Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab initio fragment molecular orbital study. J. Comput. Chem. 27 (8) (2006)
Tadashi Nemoto, Dmitri G. Fedorov, Masami Uebayasi, Kenji Kanazawa, Kazuo Kitaura, Yuto Komeiji
Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein. Comput. Biol. Chem. 29 (6) (2005)
Yuto Komeiji, Makoto Haraguchi, Umpei Nagashima
Parallel molecular dynamics simulation of a protein. Parallel Comput. 27 (8) (2001)
Yuto Komeiji, Masami Uebayasi, Ryo Takata, Akihiro Shimizu, Keiji Itsukashi, Makoto Taiji
Fast and accurate molecular dynamics simulation of a protein using a special-purpose computer. J. Comput. Chem. 18 (12) (1997)