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How Water Provides the Impetus for Molecular Recognition in Aqueous Solution

✍ Scribed by Lemieux, Raymond U.


Book ID
126017788
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
240 KB
Volume
29
Category
Article
ISSN
0001-4842

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Molecular dynamics simulation provides a
✍ Olle Teleman; Claus-Wilhelm Von Der Lieth πŸ“‚ Article πŸ“… 1990 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 985 KB

## Abstract A hypothetical conformation of the undecapeptide Substance P in aqueous solution is generated by molecular dynamics simulation for 284 ps. The conformation takes explicit solvent interactions into account as well as entropic effects to the extent that phase space is sampled in simulatio