Folgen
Hirofumi Watanabe
Hirofumi Watanabe
WithMetis Co., Ltd.
Bestätigte E-Mail-Adresse bei withmetis.jp - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
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
552009
Incorporation of solvation effects into the fragment molecular orbital calculations with the Poisson–Boltzmann equation
H Watanabe, Y Okiyama, T Nakano, S Tanaka
Chemical Physics Letters 500 (1-3), 116-119, 2010
502010
Visualization analysis of inter-fragment interaction energies of CRP–cAMP–DNA complex based on the fragment molecular orbital method
I Kurisaki, K Fukuzawa, Y Komeiji, Y Mochizuki, T Nakano, J Imada, ...
Biophysical chemistry 130 (1-2), 1-9, 2007
452007
Molecular dynamics simulation study on the structural stabilities of polyglutamine peptides
H Ogawa, M Nakano, H Watanabe, EB Starikov, SM Rothstein, S Tanaka
Computational biology and chemistry 32 (2), 102-110, 2008
422008
Application of the fragment molecular orbital method for determination of atomic charges on polypeptides. II. Towards an improvement of force fields used for classical …
Y Okiyama, H Watanabe, K Fukuzawa, T Nakano, Y Mochizuki, ...
Chemical Physics Letters 467 (4-6), 417-423, 2009
402009
Ab initio quantum-chemical study on emission spectra of bioluminescent luciferases by fragment molecular orbital method
A Tagami, N Ishibashi, D Kato, N Taguchi, Y Mochizuki, H Watanabe, ...
Chemical Physics Letters 472 (1-3), 118-123, 2009
382009
Application of the fragment molecular orbital method for determination of atomic charges on polypeptides
Y Okiyama, H Watanabe, K Fukuzawa, T Nakano, Y Mochizuki, ...
Chemical Physics Letters 449 (4-6), 329-335, 2007
332007
Discovery of novel spiroindoline derivatives as selective tankyrase inhibitors
F Shirai, T Tsumura, Y Yashiroda, H Yuki, H Niwa, S Sato, T Chikada, ...
Journal of Medicinal Chemistry 62 (7), 3407-3427, 2019
322019
Effects of salt addition on strength and dynamics of hydrophobic interactions
T Fujita, H Watanabe, S Tanaka
Chemical physics letters 434 (1-3), 42-48, 2007
322007
Roles of K151 and D180 in L‐2‐haloacid dehalogenase from Pseudomonas sp. YL: Analysis by molecular dynamics and ab initio fragment molecular orbital …
T Nakamura, A Yamaguchi, H Kondo, H Watanabe, T Kurihara, N Esaki, ...
Journal of computational chemistry 30 (16), 2625-2634, 2009
302009
Comparative characterization of short monomeric polyglutamine peptides by replica exchange molecular dynamics simulation
M Nakano, H Watanabe, SM Rothstein, S Tanaka
The journal of physical chemistry B 114 (20), 7056-7061, 2010
292010
Theoretical analysis of activity cliffs among benzofuranone-class Pim1 inhibitors using the fragment molecular orbital method with molecular mechanics Poisson–Boltzmann surface …
C Watanabe, H Watanabe, K Fukuzawa, LJ Parker, Y Okiyama, H Yuki, ...
Journal of chemical information and modeling 57 (12), 2996-3010, 2017
282017
Ab initio path integral molecular dynamics based on fragment molecular orbital method
T Fujita, H Watanabe, S Tanaka
Journal of the Physical Society of Japan 78 (10), 104723, 2009
252009
Fragmentation method combined with quantum Monte Carlo calculations
R Maezono, H Watanabe, S Tanaka
Journal of the Physical Society of Japan 76 (6), 064301-064301, 2007
212007
Effects of molecular motion on charge transfer/transport through DNA duplexes with and without base pair mismatch
EB Starikov, T Fujita, H Watanabe, Y Sengoku, S Tanaka, W Wenzel
Molecular Simulation 32 (9), 759-764, 2006
212006
Computational analysis of the interaction energies between amino acid residues of the measles virus hemagglutinin and its receptors
F Xu, S Tanaka, H Watanabe, Y Shimane, M Iwasawa, K Ohishi, ...
Viruses 10 (5), 236, 2018
202018
Development of an automated fragment molecular orbital (FMO) calculation protocol toward construction of quantum mechanical calculation database for large biomolecules
C Watanabe, H Watanabe, Y Okiyama, D Takaya, K Fukuzawa, S Tanaka, ...
Chem-Bio Informatics Journal 19, 5-18, 2019
192019
Das System kann den Vorgang jetzt nicht ausführen. Versuchen Sie es später erneut.
Artikel 1–20