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ORCIDYuto Komeiji
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2020 – today
- 2020
[j9]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): 3593-3602 (2020)
2000 – 2009
- 2009
- [j8]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): 40-50 (2009) - 2008
- [j7]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): 149-158 (2008) - 2007
- [j6]Yuto Komeiji, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura:
Change in a protein's electronic structure induced by an explicit solvent: An ab initio fragment molecular orbital study of ubiquitin. J. Comput. Chem. 28(10): 1750-1762 (2007) - [j5]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. 28(13): 2237-2239 (2007) - 2006
- [j4]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): 948-960 (2006) - 2005
- [j3]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): 434-439 (2005) - 2001
- [j2]Yuto Komeiji, Makoto Haraguchi, Umpei Nagashima:
Parallel molecular dynamics simulation of a protein. Parallel Comput. 27(8): 977-987 (2001)
1990 – 1999
- 1997
- [j1]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): 1546-1563 (1997)
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