Monte carlo simulations of peptide solvation
- 1 January 1983
- journal article
- research article
- Published by Wiley in Biopolymers
- Vol. 22 (1) , 27-31
- https://doi.org/10.1002/bip.360220106
Abstract
To increase our understanding of peptide–water interactions, we are simulating the behavior of water molecules in the intermolecular channels of [Phe4Val6]antamanide dododecahydrate crystals. There is good overall agreement between the positions predicted using two alternative potential functions and those that have been observed by x‐ray diffraction. Detailed differences between the predictions for the two potential functions are discussed.Keywords
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