Monte Carlo simulation of water behavior around the dipeptide N-acetylalanyl-N-methylamide.
Applications of Monte Carlo and molecular dynamics computer simulation techniques indicate that they are potentially powerful tools for understanding biological systems at the molecular level. The Monte Carlo technique can be used to study the solvent structure around a small peptide and the effect of the aqueous environment on the conformational equilibria of the peptide.
D000409:Alanine / Q000031:analogs & derivatives*; D004151:Dipeptides; D008956:Models, Chemical; D009010:Monte Carlo Method; D011487:Protein Conformation; D012997:Solvents; D014867:Water
D004151:Dipeptides; D012997:Solvents; D014867:Water; C024314:N-acetylalanyl-N-methylamide; D000409:Alanine