Molecular dynamics simulation by atomic mass weighting.
A molecular dynamics-based simulation method in which atomic masses are weighted is described. Results from this method showed that the capability for conformation search in molecular dynamics simulation of a short peptide (FMRF-amide) is significantly increased by mass weighting.
Mao
B
B
Upjohn Research Laboratories, Kalamazoo, Michigan 49001 USA.
Friedman
A R
AR