Physico-chemical and computational approaches to drug discovery /

"Molecular modeling and simulation play a central role in academic and industrial research focused on physico-chemical properties and processes. The efforts carried out in this field have crystallized in a variety of models, simulation methods, and computational techniques that are examining th...

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Bibliographic Details
Other Authors: Barril, Xavier, Luque Ordóñez, Javier
Format: eBook
Language:English
Published: Cambridge, U.K. : Royal Society of Chemistry, 2012.
Series:RSC drug discovery series ; 23.
Subjects:
Online Access:Connect to the full text of this electronic book
Description
Summary:"Molecular modeling and simulation play a central role in academic and industrial research focused on physico-chemical properties and processes. The efforts carried out in this field have crystallized in a variety of models, simulation methods, and computational techniques that are examining the relationship between the structure, dynamics and functional role of biomolecules and their interactions. In particular, there has been a huge advance in the understanding of the molecular determinants that mediate the interaction between small compounds acting as ligands and their macromolecular targets. This book provides an updated description of the advances experienced in recent years in the field of molecular modeling and simulation of biomolecular recognition, with particular emphasis towards the development of efficient strategies in structure-based drug design."--
Item Description:Electronic resource.
Physical Description:1 online resource (xv, 418 pages) : illustrations
Bibliography:Includes bibliographical references and index.
ISBN:1849735379
9781849735377
DOI:10.1039/9781849735377