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Science 9 May 1980:
Vol. 208. no. 4444, pp. 599 - 601
DOI: 10.1126/science.7367882
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Articles

Science, Vol 208, Issue 4444, 599-601
Copyright © 1980 by American Association for the Advancement of Science

articles

Monte Carlo simulation of water behavior around the dipeptide N-acetylalanyl-N-methylamide

AT Hagler, DJ Osguthorpe, and B Robson

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.


THIS ARTICLE HAS BEEN CITED BY OTHER ARTICLES:
Dynamics and conformational energetics of a peptide hormone: vasopressin.
A. Hagler, D. Osguthorpe, P Dauber-Osguthorpe, and J. Hempel (1985)
Science 227, 1309-1315
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