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Tatsuya Nakano
Tatsuya Nakano
Section Chief, National Institute of Health Sciences
Bestätigte E-Mail-Adresse bei nihs.go.jp
Titel
Zitiert von
Zitiert von
Jahr
Fragment molecular orbital method: an approximate computational method for large molecules
K Kitaura, E Ikeo, T Asada, T Nakano, M Uebayasi
Chemical Physics Letters 313 (3-4), 701-706, 1999
13221999
Fragment molecular orbital method: use of approximate electrostatic potential
T Nakano, T Kaminuma, T Sato, K Fukuzawa, Y Akiyama, M Uebayasi, ...
Chemical Physics Letters 351 (5-6), 475-480, 2002
4572002
Fragment molecular orbital method: application to polypeptides
T Nakano, T Kaminuma, T Sato, Y Akiyama, M Uebayasi, K Kitaura
Chemical Physics Letters 318 (6), 614-618, 2000
3872000
Pair interaction molecular orbital method: an approximate computational method for molecular interactions
K Kitaura, T Sawai, T Asada, T Nakano, M Uebayasi
Chemical Physics Letters 312 (2-4), 319-324, 1999
3261999
HIV protease inhibitor nelfinavir inhibits replication of SARS-associated coronavirus
N Yamamoto, R Yang, Y Yoshinaka, S Amari, T Nakano, J Cinatl, ...
Biochemical and biophysical research communications 318 (3), 719-725, 2004
3092004
Fragment molecular orbital method: analytical energy gradients
K Kitaura, SI Sugiki, T Nakano, Y Komeiji, M Uebayasi
Chemical physics letters 336 (1-2), 163-170, 2001
2472001
Large scale MP2 calculations with fragment molecular orbital scheme
Y Mochizuki, S Koikegami, T Nakano, S Amari, K Kitaura
Chemical Physics Letters 396 (4-6), 473-479, 2004
1972004
A parallelized integral-direct second-order Møller–Plesset perturbation theory method with a fragment molecular orbital scheme
Y Mochizuki, T Nakano, S Koikegami, S Tanimori, Y Abe, U Nagashima, ...
Theoretical Chemistry Accounts 112 (5), 442-452, 2004
1642004
VISCANA: visualized cluster analysis of protein− ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening
S Amari, M Aizawa, J Zhang, K Fukuzawa, Y Mochizuki, Y Iwasawa, ...
Journal of Chemical Information and modeling 46 (1), 221-230, 2006
1502006
Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method
K Fukuzawa, Y Mochizuki, S Tanaka, K Kitaura, T Nakano
The Journal of Physical Chemistry B 110 (32), 16102-16110, 2006
1372006
Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: An application of fragment molecular orbital method
K Fukuzawa, K Kitaura, M Uebayasi, K Nakata, T Kaminuma, T Nakano
Journal of computational chemistry 26 (1), 1-10, 2005
1342005
Cross-condensation reactions of cycloalkanones with aldehydes and primary alcohols under the influence of zirconocene complexes
T Nakano, S Irifune, S Umano, A Inada, Y Ishii, M Ogawa
The Journal of Organic Chemistry 52 (11), 2239-2244, 1987
1341987
Fragment molecular orbital method: application to molecular dynamics simulation,‘ab initio FMO-MD’
Y Komeiji, T Nakano, K Fukuzawa, Y Ueno, Y Inadomi, T Nemoto, ...
Chemical physics letters 372 (3-4), 342-347, 2003
1252003
Large scale FMO-MP2 calculations on a massively parallel-vector computer
Y Mochizuki, K Yamashita, T Murase, T Nakano, K Fukuzawa, ...
Chemical Physics Letters 457 (4-6), 396-403, 2008
1212008
Configuration interaction singles method with multilayer fragment molecular orbital scheme
Y Mochizuki, S Koikegami, S Amari, K Segawa, K Kitaura, T Nakano
Chemical physics letters 406 (4-6), 283-288, 2005
1212005
Intra‐ and intermolecular interactions between cyclic‐AMP receptor protein and DNA: Ab initio fragment molecular orbital study
K Fukuzawa, Y Komeiji, Y Mochizuki, A Kato, T Nakano, S Tanaka
Journal of computational chemistry 27 (8), 948-960, 2006
1102006
A configuration analysis for fragment interaction
Y Mochizuki, K Fukuzawa, A Kato, S Tanaka, K Kitaura, T Nakano
Chemical physics letters 410 (4-6), 247-253, 2005
1002005
Definition of molecular orbitals in fragment molecular orbital method
Y Inadomi, T Nakano, K Kitaura, U Nagashima
Chemical Physics Letters 364 (1-2), 139-143, 2002
982002
How Does an SN2 Reaction Take Place in Solution? Full Ab Initio MD Simulations for the Hydrolysis of the Methyl Diazonium Ion
M Sato, H Yamataka, Y Komeiji, Y Mochizuki, T Ishikawa, T Nakano
Journal of the American Chemical Society 130 (8), 2396-2397, 2008
792008
Higher-order correlated calculations based on fragment molecular orbital scheme
Y Mochizuki, K Yamashita, T Nakano, Y Okiyama, K Fukuzawa, N Taguchi, ...
Theoretical Chemistry Accounts 130 (2), 515-530, 2011
772011
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