Kazuo Kitaura

Publication Activity (10 Years)

Years Active: 2001-2011
Publications (10 Years): 0

Publications

Tomonaga Ozawa, Kosuke Okazaki, Kazuo Kitaura
fragment molecular orbital study. J. Comput. Chem. 32 (13) (2011)
Katsumi Murata, Naoya Nagata, Isao Nakanishi, Kazuo Kitaura
Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein. J. Comput. Chem. 31 (4) (2010)
Katsumi Murata, Naoya Nagata, Isao Nakanishi, Kazuo Kitaura
SDOVS: A solvent dipole ordering-based method for virtual screening. J. Comput. Chem. 31 (15) (2010)
Hui Li, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon
Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation. J. Comput. Chem. 31 (4) (2010)
Tsutomu Ikegami, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura, Yuichi Inadomi, Hiroaki Umeda, Mitsuo Yokokawa, Satoshi Sekiguchi
. J. Comput. Chem. 31 (2) (2010)
Takahiro Kosugi, Isao Nakanishi, Kazuo Kitaura
Binding Free Energy Calculations of Adenosine Deaminase Inhibitor and the Effect of Methyl Substitution in Inhibitors. J. Chem. Inf. Model. 49 (3) (2009)
Yumi N. Imai, Yoshihisa Inoue, Isao Nakanishi, Kazuo Kitaura
Amide-pi interactions between formamide and benzene. J. Comput. Chem. 30 (14) (2009)
Mahito Chiba, Dmitri G. Fedorov, Kazuo Kitaura
Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory. J. Comput. Chem. 29 (16) (2008)
Dmitri G. Fedorov, Kazuo Kitaura
Pair interaction energy decomposition analysis. J. Comput. Chem. 28 (1) (2007)
Dmitri G. Fedorov, Kazuya Ishimura, Toyokazu Ishida, Kazuo Kitaura, Peter Pulay, Shigeru Nagase
Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory. J. Comput. Chem. 28 (9) (2007)
Yuto Komeiji, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura
fragment molecular orbital study of ubiquitin. J. Comput. Chem. 28 (10) (2007)
Dmitri G. Fedorov, Kazuo Kitaura, Hui Li, Jan H. Jensen, Mark S. Gordon
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO). J. Comput. Chem. 27 (8) (2006)
Kaori Fukuzawa, Kazuo Kitaura, Masami Uebayasi, Kotoko Nakata, Tsuguchika Kaminuma, Tatsuya Nakano
quantum mechanical study of the binding energies of human estrogen receptor with its ligands: An application of fragment molecular orbital method. J. Comput. Chem. 26 (1) (2005)
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)
Tsutomu Ikegami, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura, Yuichi Inadomi, Hiroaki Umeda, Mitsuo Yokokawa, Satoshi Sekiguchi
Full Electron Calculation Beyond 20, 000 Atoms: Ground Electronic State of Photosynthetic Proteins. SC (2005)
Dmitri G. Fedorov, Ryan M. Olson, Kazuo Kitaura, Mark S. Gordon, Shiro Koseki
A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO). J. Comput. Chem. 25 (6) (2004)
Yuichi Inadomi, Tatsuya Nakano, Kazuo Kitaura, Umpei Nagashima
Increased Efficiency of Parallel Calculations of Fragment Molecular Orbitals by Using Fine-Grained Parallelization on a HITACHI SR8000 Supercomputer. HPCN Europe (2001)