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Targacept Active Conformation Search: A New Method for Predicting the Conformation of a Ligand Bound to Its Protein Target

โœ Scribed by Klucik, Josef; Xiao, Yun-De; Hammond, Phillip S.; Harris, Rebecca; Schmitt, Jeffrey D.


Book ID
126776645
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
210 KB
Volume
47
Category
Article
ISSN
0022-2623

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We have developed a new soft-core potential function for the conformational search of complex systems with molecular dynamics. The potential function was designed to maintain the main equilibrium properties of the original force field, which means that the soft-core potential gives physically realis