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Kaori Fukuzawa
Kaori Fukuzawa
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Zitiert von
Zitiert von
Jahr
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
Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems
S Tanaka, Y Mochizuki, Y Komeiji, Y Okiyama, K Fukuzawa
Physical Chemistry Chemical Physics 16 (22), 10310-10344, 2014
2342014
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
1492006
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
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
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
The translation inhibitor rocaglamide targets a bimolecular cavity between eIF4A and polypurine RNA
S Iwasaki, W Iwasaki, M Takahashi, A Sakamoto, C Watanabe, Y Shichino, ...
Molecular cell 73 (4), 738-748. e9, 2019
1062019
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
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
762011
Molecular orbital study of neutral-neutral reactions concerning HC3N formation in interstellar space
K Fukuzawa, Y Osamura
The Astrophysical Journal 489 (1), 113, 1997
711997
Fragment molecular orbital based interaction analyses on COVID-19 main protease− inhibitor N3 complex (PDB ID: 6LU7)
R Hatada, K Okuwaki, Y Mochizuki, Y Handa, K Fukuzawa, Y Komeiji, ...
Journal of chemical information and modeling 60 (7), 3593-3602, 2020
662020
A molecular orbital study of the HC3NH++ e-dissociative recombination and its role in the production of cyanoacetylene isomers in interstellar clouds
Y Osamura, K Fukuzawa, R Terzieva, E Herbst
The Astrophysical Journal 519 (2), 697, 1999
661999
Development of the four-body corrected fragment molecular orbital (FMO4) method
T Nakano, Y Mochizuki, K Yamashita, C Watanabe, K Fukuzawa, ...
Chemical Physics Letters 523, 128-133, 2012
642012
Theoretical analysis of binding specificity of influenza viral hemagglutinin to avian and human receptors based on the fragment molecular orbital method
T Iwata, K Fukuzawa, K Nakajima, S Aida-Hyugaji, Y Mochizuki, ...
Computational biology and chemistry 32 (3), 198-211, 2008
642008
Large-scale FMO-MP3 calculations on the surface proteins of influenza virus, hemagglutinin (HA) and neuraminidase (NA)
Y Mochizuki, K Yamashita, K Fukuzawa, K Takematsu, H Watanabe, ...
Chemical Physics Letters 493 (4-6), 346-352, 2010
592010
Possibility of mutation prediction of influenza hemagglutinin by combination of hemadsorption experiment and quantum chemical calculation for antibody binding
K Takematsu, K Fukuzawa, K Omagari, S Nakajima, K Nakajima, ...
The Journal of Physical Chemistry B 113 (15), 4991-4994, 2009
562009
Fragment molecular orbital calculations on large scale systems containing heavy metal atom
T Ishikawa, Y Mochizuki, T Nakano, S Amari, H Mori, H Honda, T Fujita, ...
Chemical physics letters 427 (1-3), 159-165, 2006
552006
Discovery of boron-conjugated 4-anilinoquinazoline as a prolonged inhibitor of EGFRtyrosine kinase
HS Ban, T Usui, W Nabeyama, H Morita, K Fukuzawa, H Nakamura
Organic & biomolecular chemistry 7 (21), 4415-4427, 2009
532009
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