1st Edition

Computational Medicinal Chemistry for Drug Discovery

ISBN 9780824747749
Published December 17, 2003 by CRC Press
1169 Pages

USD $325.00

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Book Description

Observing computational chemistry's proven value to the introduction of new medicines, this reference offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than fifty pre-eminent scientists, Computational Medicinal Chemistry for Drug Discovery surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling responding to market demands in its selection and authoritative treatment of topics. The book examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.


"The 27 chapters of the volume are comprehensively written and provide extensive lists of references."
-Anticancer Research, 2006