Monte Carlo Simulation of Water Behavior Around the Dipeptide N -Acetylalanyl- N -Methylamide
- 9 May 1980
- journal article
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 208 (4444) , 599-601
- https://doi.org/10.1126/science.7367882
Abstract
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.Keywords
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