Molecular modeling of hydration in drug design

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Molecular modeling of hydration in drug design

The accurate prediction of the binding mode and affinity of a drug molecule to its putative receptor is crucial for successful drug design and optimization. Modeling the role of the aqueous solvent in ligand-protein interactions is one of the key components. Three main computational techniques have...

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Bibliographic Details
Main Author:	Mancera, Ricardo
Format:	Journal Article
Published:	Current Drugs Ltd. 2007
Online Access:	http://hdl.handle.net/20.500.11937/31966

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