| 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 | 130 | 2013 |
| 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), 2014 | 89 | 2014 |
| 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 | 66 | 2019 |
| 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 | 54 | 2019 |
| 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 | 35 | 2014 |
| 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), 2012 | 35 | 2012 |
| 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 | 34 | 2019 |
| 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 | 28 | 2020 |
| 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 | 27 | 2020 |
| 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 | 23 | 2016 |
| 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), 2017 | 18 | 2017 |
| 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 | 18 | 2017 |
| 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), 2010 | 17 | 2010 |
| 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 | 14 | 2016 |
| 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), 2016 | 13 | 2016 |
| A comparison of the brittle PMMA with the ductile PC on the elasticity and yielding from a molecular dynamics perspective Z Tang, K Fujimoto, S Okazaki Polymer 226, 123809, 2021 | 12 | 2021 |
| 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 | 12 | 2016 |
| 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), 2012 | 12 | 2012 |
| A molecular dynamics study of local pressures and interfacial tensions of SDS micelles and dodecane droplets in water M Kitabata, K Fujimoto, N Yoshii, S Okazaki The Journal of Chemical Physics 144 (22), 2016 | 11 | 2016 |
| 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 | 9 | 2017 |