| 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 | 126 | 2013 |
| A molecular dynamics study of sub-and supercritical water using a polarizable potential model N Yoshii, H Yoshie, S Miura, S Okazaki The Journal of chemical physics 109 (12), 4873-4884, 1998 | 115 | 1998 |
| A molecular dynamics study of free energy of micelle formation for sodium dodecyl sulfate in water and its size distribution N Yoshii, K Iwahashi, S Okazaki The Journal of chemical physics 124 (18), 2006 | 97 | 2006 |
| A molecular dynamics study of dielectric constant of water from ambient to sub-and supercritical conditions using a fluctuating-charge potential model N Yoshii, S Miura, S Okazaki Chemical physics letters 345 (1-2), 195-200, 2001 | 91 | 2001 |
| 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 | 87 | 2014 |
| A molecular dynamics study of structural stability of spherical SDS micelle as a function of its size N Yoshii, S Okazaki Chemical physics letters 425 (1-3), 58-61, 2006 | 58 | 2006 |
| A large-scale and long-time molecular dynamics study of supercritical Lennard-Jones fluid. An analysis of high temperature clusters N Yoshii, S Okazaki The Journal of chemical physics 107 (6), 2020-2033, 1997 | 57 | 1997 |
| All-Atom Molecular Dynamics Study of a Spherical Micelle Composed of N-Acetylated Poly(ethylene glycol)−Poly(γ-benzyl l-glutamate) Block Copolymers: A … H Kuramochi, Y Andoh, N Yoshii, S Okazaki The Journal of Physical Chemistry B 113 (46), 15181-15188, 2009 | 40 | 2009 |
| A molecular dynamics study of surface structure of spherical SDS micelles N Yoshii, S Okazaki Chemical physics letters 426 (1-3), 66-70, 2006 | 38 | 2006 |
| 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 |
| A molecular-dynamics study of the equation of state of water using a fluctuating-charge model N Yoshii, R Miyauchi, S Miura, S Okazaki Chemical Physics Letters 317 (3-5), 414-420, 2000 | 32 | 2000 |
| Density fluctuation and hydrogen-bonded clusters in supercritical water. A molecular dynamics analysis using a polarizable potential model N Yoshii, S Miura, S Okazaki Bulletin of the Chemical Society of Japan 72 (2), 151-162, 1999 | 28 | 1999 |
| Free energy of water permeation into hydrophobic core of sodium dodecyl sulfate micelle by molecular dynamics calculation N Yoshii, S Okazaki The Journal of chemical physics 126 (9), 2007 | 25 | 2007 |
| Drug binding and mobility relating to the thermal fluctuation in fluid lipid membranes E Okamura, N Yoshii The Journal of chemical physics 129 (21), 2008 | 24 | 2008 |
| A molecular dynamics study of structure and dynamics of surfactant molecules in SDS spherical micelle N Yoshii, S Okazaki Condensed Matter Physics, 2007 | 24 | 2007 |
| 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 structure of clusters in supercritical Lennard–Jones fluid N Yoshii, S Okazaki Fluid phase equilibria 144 (1-2), 225-232, 1998 | 20 | 1998 |
| Electrostatic potential gap at the interface between triethylamine and water phases studied by molecular dynamics simulation S Kajimoto, N Yoshii, J Hobley, H Fukumura, S Okazaki Chemical Physics Letters 448 (1-3), 70-74, 2007 | 19 | 2007 |
| 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 |
| Kinetics of membrane binding and dissociation of 5-fluorouracil by pulsed-field-gradient 19F NMR N Yoshii, E Okamura Chemical Physics Letters 474 (4-6), 357-361, 2009 | 17 | 2009 |
