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Monte carlo simulations of peptide solvation

✍ Scribed by Vincent Madison; David J. Osguthorpe; Pnina Dauber; Arnold T. Hagler

Publisher
Wiley (John Wiley & Sons)
Year
1983
Tongue
English
Weight
258 KB
Volume
22
Category
Article
ISSN
0006-3525

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✦ Synopsis

To increase our understanding of peptide-water interactions, we are simulating the behavior of water molecules in the intermolecular channels of [Phe4ValG]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.

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