| 1 |
Flexible binding simulation by a novel and improved version of virtual-system coupled adaptive umbrella sampling
Dasgupta B, Nakamura H, Higo J
Chemical Physics Letters, 662, 327, 2016 |
| 2 |
Helicity-Selective Photoreaction of Single-Walled Carbon Nanotubes with Organosulfur Compounds in the Presence of Oxygen
Maeda Y, Higo J, Amagai Y, Matsui J, Ohkubo K, Yoshigoe Y, Hashimoto M, Eguchi K, Yamada M, Hasegawa T, Sato Y, Zhou J, Lu J, Miyashita T, Fukuzumi S, Murakami T, Tohji K, Nagase S, Akasaka T
Journal of the American Chemical Society, 135(16), 6356, 2013 |
| 3 |
A Free-Energy Landscape for Coupled Folding and Binding of an Intrinsically Disordered Protein in Explicit Solvent from Detailed All-Atom Computations
Higo J, Nishimura Y, Nakamura H
Journal of the American Chemical Society, 133(27), 10448, 2011 |
| 4 |
Verifying trivial parallelization of multicanonical molecular dynamics for conformational sampling of a polypeptide in explicit water
Higo J, Kamiya N, Sugihara T, Yonezawa Y, Nakamura H
Chemical Physics Letters, 473(4-6), 326, 2009 |
| 5 |
Structure dependency of a 24-residue peptide humanin on solvent and preferential solvation by trifluoroethanol studied by multicanonical sampling
Yagisawa R, Kamiya N, Ikebe J, Umezawa K, Higo J
Chemical Physics Letters, 455(4-6), 293, 2008 |
| 6 |
Conformational sampling of a 40-residue protein consisting of alpha and beta secondary-structure elements in explicit solvent
Ikebe J, Kamiya N, Shindo H, Nakamura H, Higo J
Chemical Physics Letters, 443(4-6), 364, 2007 |
| 7 |
Folding of the 25 residue A beta(12-36) peptide in TFE/water: Temperature-dependent transition from a funneled free-energy landscape to a rugged one
Kamiya N, Mitomo D, Shea JE, Higo J
Journal of Physical Chemistry B, 111(19), 5351, 2007 |
| 8 |
Explicit and GB/SA solvents: Each with two different force fields in multicanonical conformational sampling of a 25-residue polypeptide
Mitomo D, Watanabe YS, Kamiya N, Higo J
Chemical Physics Letters, 427(4-6), 399, 2006 |
| 9 |
DNA-protein binding mediated by a solvent site-dipole field
Hamasaki N, Miyagawa H, Mitomo D, Yamagisi A, Higo J
Chemical Physics Letters, 431(1-3), 160, 2006 |
| 10 |
AMBER-based hybrid force field for conformational sampling of polypeptides
Kamiya N, Watanabe YS, Ono S, Higo J
Chemical Physics Letters, 401(1-3), 312, 2005 |
