Presentation Information
[B1-P203-23]Determinants of Water Solubility in Artificial Polypeptides: All-Atom Molecular Dynamics Simulation and Free Energy Calculation
*Kazuo Yamada1,2, Nobuyuki Matubayasi2 (1. Fukui Inst. for Fundamental Chemistry (Japan), 2. Osaka Univ. (Japan))
Keywords:
Polypeptide,Water solubility,All-atom molecular dynamics simulation,Free-energy calculation,Excluded volume effect