Optimization of partial multicanonical molecular dynamics simulations applied to an alanine dipeptide in explicit water solvent.
Okumura
Hisashi
H
Research Center for Computational Science Institute for Molecular Science Okazaki, Aichi 444-8585, Japan. hokumura@ims.ac.jp
D000409:Alanine / Q000737:chemistry*; D000465:Algorithms; D004151:Dipeptides / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D012997:Solvents / Q000737:chemistry; D014867:Water / Q000737:chemistry*
D004151:Dipeptides; D012997:Solvents; D014867:Water; D000409:Alanine