フォロー
Kazushi Fujimoto
Kazushi Fujimoto
確認したメール アドレス: chembio.nagoya-u.ac.jp - ホームページ
タイトル
引用先
引用先
MODYLAS: A highly parallelized general-purpose molecular dynamics simulation program for large-scale systems with long-range forces calculated by fast multipole method (FMM …
Y Andoh, N Yoshii, K Fujimoto, K Mizutani, H Kojima, A Yamada, ...
Journal of Chemical Theory and Computation 9 (7), 3201-3209, 2013
1182013
All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution
Y Andoh, N Yoshii, A Yamada, K Fujimoto, H Kojima, K Mizutani, ...
The Journal of chemical physics 141 (16), 10B611_1, 2014
742014
Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined …
K Fujimoto, N Yoshii, S Okazaki
The Journal of Chemical Physics 136 (1), 014511, 2012
332012
All-atom molecular dynamics study of impact fracture of glassy polymers. I: Molecular mechanism of brittleness of PMMA and ductility of PC
K Fujimoto, Z Tang, W Shinoda, S Okazaki
Polymer 178, 121570, 2019
282019
Molecular dynamics of polyrotaxane in solution investigated by quasi-elastic neutron scattering and molecular dynamics simulation: sliding motion of rings on polymer
Y Yasuda, Y Hidaka, K Mayumi, T Yamada, K Fujimoto, S Okazaki, ...
Journal of the American Chemical Society 141 (24), 9655-9663, 2019
272019
Why Is Poly (oxyethylene) soluble in water? Evidence from the thermodynamic profile of the conformational equilibria of 1, 2-dimethoxyethane and dimethoxymethane revealed by …
R Wada, K Fujimoto, M Kato
The Journal of Physical Chemistry B 118 (42), 12223-12231, 2014
232014
Molecular dynamics study of the formation mechanisms of ionic SDS and nonionic C12E8 micelles and n-dodecane droplets
S Kawada, M Komori, K Fujimoto, N Yoshii, S Okazaki
Chemical Physics Letters 646, 36-40, 2016
202016
Molecular dynamics study of solubilization of immiscible solutes by a micelle: Free energy of transfer of alkanes from water to the micelle core by thermodynamic integration method
K Fujimoto, N Yoshii, S Okazaki
The Journal of chemical physics 133 (7), 074511, 2010
162010
Molecular mechanism of material deformation and failure in butadiene rubber: Insight from all-atom molecular dynamics simulation using a bond breaking potential model
RS Payal, K Fujimoto, C Jang, W Shinoda, Y Takei, H Shima, K Tsunoda, ...
Polymer 170, 113-119, 2019
152019
Detailed Structural Analysis of a Self‐Assembled Vesicular Amphiphilic NCN‐Pincer Palladium Complex by Using Wide‐Angle X‐Ray Scattering and Molecular Dynamics Calculations
G Hamasaka, T Muto, Y Andoh, K Fujimoto, K Kato, M Takata, S Okazaki, ...
Chemistry–A European Journal 23 (6), 1291-1298, 2017
152017
Molecular dynamics study of the potential of mean force of SDS aggregates
S Kawada, K Fujimoto, N Yoshii, S Okazaki
The Journal of Chemical Physics 147 (8), 084903, 2017
132017
A molecular dynamics study of the breathing and deforming modes of the spherical ionic SDS and nonionic C12E8 micelles
L Wang, K Fujimoto, N Yoshii, S Okazaki
The Journal of chemical physics 144 (3), 034903, 2016
122016
Molecular dynamics study of the structure of anionic SDS, cationic DTAC, zwitterionic DDAO, and nonionic C12E8 spherical micelles in solution
N Yoshii, K Fujimoto, S Okazaki
Journal of Molecular Liquids 217, 99-102, 2016
112016
Molecular dynamics study of free energy of transfer of alcohol and amine from water phase to the micelle by thermodynamic integration method
K Fujimoto, N Yoshii, S Okazaki
The Journal of Chemical Physics 137 (9), 094902, 2012
112012
All-atom molecular dynamics study of impact fracture of glassy polymers. II: Microscopic origins of stresses in elasticity, yielding, and strain hardening
Z Tang, K Fujimoto, S Okazaki
Polymer 207 (20), 122908, 2020
102020
G-protein/β-arrestin-linked fluctuating network of G-protein-coupled receptors for predicting drug efficacy and bias using short-term molecular dynamics simulation
O Ichikawa, K Fujimoto, A Yamada, S Okazaki, K Yamazaki
PloS one 11 (5), e0155816, 2016
102016
Position-dependent diffusion constant of molecules in heterogeneous systems as evaluated by the local mean squared displacement
T Nagai, S Tsurumaki, R Urano, K Fujimoto, W Shinoda, S Okazaki
Journal of Chemical Theory and Computation 16 (12), 7239-7254, 2020
82020
Molecular dynamics study of the aggregation rate for zwitterionic dodecyldimethylamine oxide and cationic dodecyltrimethylammonium chloride micelles
K Fujimoto, Y Kubo, S Kawada, N Yoshii, S Okazaki
Molecular Simulation 43 (13-16), 1331-1337, 2017
72017
Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study
N Yoshii, Y Nimura, K Fujimoto, S Okazaki
The Journal of Chemical Physics 147 (3), 034906, 2017
62017
Development of dissociative force field for all‐atomistic molecular dynamics calculation of fracture of polymers
K Fujimoto, RS Payal, T Hattori, W Shinoda, M Nakagaki, S Sakaki, ...
Journal of Computational Chemistry 40 (29), 2571-2576, 2019
52019
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