| Liquid–vapor coexistence curves of several interatomic model potentials H Okumura, F Yonezawa The Journal of Chemical Physics 113 (20), 9162-9168, 2000 | 184 | 2000 |
| Explicit symplectic integrators of molecular dynamics algorithms for rigid-body molecules in the canonical, isobaric-isothermal, and related ensembles H Okumura, SG Itoh, Y Okamoto The Journal of chemical physics 126 (8), 2007 | 113 | 2007 |
| Temperature and pressure denaturation of chignolin: Folding and unfolding simulation by multibaric‐multithermal molecular dynamics method H Okumura Proteins: Structure, Function, and Bioinformatics 80 (10), 2397-2416, 2012 | 100 | 2012 |
| Amyloid fibril disruption by ultrasonic cavitation: nonequilibrium molecular dynamics simulations H Okumura, SG Itoh Journal of the American Chemical Society 136 (30), 10549-10552, 2014 | 96 | 2014 |
| Replica-permutation method with the Suwa–Todo algorithm beyond the replica-exchange method SG Itoh, H Okumura Journal of chemical theory and computation 9 (1), 570-581, 2013 | 95 | 2013 |
| Nonequilibrium molecular dynamics simulations of a bubble H Okumura, N Ito Physical Review E 67 (4), 045301, 2003 | 79 | 2003 |
| Equation of state and structural properties of the Weeks-Chandler-Andersen fluid DM Heyes, H Okumura The Journal of chemical physics 124 (16), 2006 | 74 | 2006 |
| Monte Carlo simulations in multibaric–multithermal ensemble H Okumura, Y Okamoto Chemical Physics Letters 383 (3-4), 391-396, 2004 | 70 | 2004 |
| Temperature and pressure dependence of alanine dipeptide studied by multibaric− multithermal molecular dynamics simulations H Okumura, Y Okamoto The Journal of Physical Chemistry B 112 (38), 12038-12049, 2008 | 69 | 2008 |
| Monte Carlo simulations in generalized isobaric-isothermal ensembles H Okumura, Y Okamoto Physical Review E 70 (2), 026702, 2004 | 69 | 2004 |
| Molecular dynamics simulations in the multibaric–multithermal ensemble H Okumura, Y Okamoto Chemical physics letters 391 (4-6), 248-253, 2004 | 68 | 2004 |
| Reliable Determination of the Liquid-Vapor Critical Point by the NVT Plus Test Particle Method H Okumura, F Yonezawa Journal of the Physical Society of Japan 70 (7), 1990-1994, 2001 | 68 | 2001 |
| Structural basis of TRPA1 inhibition by HC-030031 utilizing species-specific differences R Gupta, S Saito, Y Mori, SG Itoh, H Okumura, M Tominaga Scientific reports 6 (1), 37460, 2016 | 67 | 2016 |
| Multibaric–multithermal ensemble molecular dynamics simulations H Okumura, Y Okamoto Journal of computational chemistry 27 (3), 379-395, 2006 | 66 | 2006 |
| Hamiltonian replica‐permutation method and its applications to an alanine dipeptide and amyloid‐β(29–42) peptides SG Itoh, H Okumura Journal of Computational Chemistry 34 (29), 2493-2497, 2013 | 63 | 2013 |
| Structural and fluctuational difference between two ends of Aβ amyloid fibril: MD simulations predict only one end has open conformations H Okumura, SG Itoh Scientific reports 6 (1), 38422, 2016 | 61 | 2016 |
| Replica-exchange method in van der Waals radius space: Overcoming steric restrictions for biomolecules SG Itoh, H Okumura, Y Okamoto The Journal of chemical physics 132 (13), 2010 | 60 | 2010 |
| Dimerization process of amyloid-β (29–42) studied by the Hamiltonian replica-permutation molecular dynamics simulations SG Itoh, H Okumura The Journal of Physical Chemistry B 118 (39), 11428-11436, 2014 | 53 | 2014 |
| Free-energy calculation via mean-force dynamics using a logarithmic energy landscape T Morishita, SG Itoh, H Okumura, M Mikami Physical Review E 85 (6), 066702, 2012 | 49 | 2012 |
| Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations H Okumura The Journal of Chemical Physics 129 (12), 2008 | 49 | 2008 |
Yuko OKAMOTO (岡本祐幸)Department of Physics, Nagoya UniversityVerified email at cc.nagoya-u.ac.jp
