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Drug design strategies : computational techniques and applications

Author: Lee Banting; Tim Clark
Publisher: Cambridge, U.K. : Royal Society of Chemistry, 2012.
Series: RSC drug discovery series, 20.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Summary:
This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches,  Read more...
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Genre/Form: Electronic books
Additional Physical Format: Print version:
Drug design strategies.
Cambridge : Royal Society of Chemistry, 2012
(OCoLC)759585091
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Lee Banting; Tim Clark
ISBN: 9781849733403 1849733406 9781621981398 1621981398
OCLC Number: 773586492
Description: 1 online resource (x, 239 pages) : illustrations.
Contents: Introduction; Quantum Mechanical/Molecular Mechanical Approaches in Drug Design; Transition Metal Systems; Modeling Protein-Protein Interactions by Rigid-body Docking; QM Based Modelling; Semi-empirical Methods: Current Status and Future Directions; Quantum Chemical Topology: on Descriptors, Potentials and Fragments; Cheminformatics in Diverse Dimensions; Analysing Molecular Surface Properties; Atomistic Modelling of Drug Delivery Systems; Index.
Series Title: RSC drug discovery series, 20.
Responsibility: editors, Lee Banting and Tim Clark.

Abstract:

This book, aimed at academics, industrialists and post-graduates, documents the latest research into computer aided drug design.  Read more...

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