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Dmitri G. Fedorov

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2008
9EEMahito Chiba, Dmitri G. Fedorov, Kazuo Kitaura: Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory. Journal of Computational Chemistry 29(16): 2667-2676 (2008)
2007
8EEDmitri G. Fedorov, Kazuo Kitaura: Pair interaction energy decomposition analysis. Journal of Computational Chemistry 28(1): 222-237 (2007)
7EEYuto 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. Journal of Computational Chemistry 28(10): 1750-1762 (2007)
6EEDmitri 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. Journal of Computational Chemistry 28(9): 1476-1484 (2007)
2006
5EEB. S. Manjunath, Baris Sumengen, Zhiqiang Bi, Jiyun Byun, Motaz A. El Saban, Dmitri G. Fedorov, Nath Vu: Towards automated bioimage analysis: from features to semantics. ISBI 2006: 255-258
4EEDmitri 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). Journal of Computational Chemistry 27(8): 976-985 (2006)
2005
3EETsutomu 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: 10
2EETadashi 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. Computational Biology and Chemistry 29(6): 434-439 (2005)
2004
1EEDmitri 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). Journal of Computational Chemistry 25(6): 872-880 (2004)

Coauthor Index

1Zhiqiang Bi [5]
2Jiyun Byun [5]
3Mahito Chiba [9]
4Mark S. Gordon [1] [4]
5Tsutomu Ikegami [3]
6Yuichi Inadomi [3]
7Toyokazu Ishida [3] [6] [7]
8Kazuya Ishimura [6]
9Jan H. Jensen [4]
10Kenji Kanazawa [2]
11Kazuo Kitaura [1] [2] [3] [4] [6] [7] [8] [9]
12Yuto Komeiji [2] [7]
13Shiro Koseki [1]
14Hui Li [4]
15B. S. Manjunath [5]
16Shigeru Nagase [6]
17Tadashi Nemoto [2]
18Ryan M. Olson [1]
19Peter Pulay [6]
20Motaz A. El Saban [5]
21Satoshi Sekiguchi [3]
22Baris Sumengen [5]
23Masami Uebayasi [2]
24Hiroaki Umeda [3]
25Nath Vu [5]
26Mitsuo Yokokawa [3]

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)