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Computational Medicinal Chemistry for Drug Discovery

Computational Medicinal Chemistry for Drug Discovery by Patrick Bultinck
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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.
CRC Press; December 2003
829 pages; ISBN 9780203913390
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Title: Computational Medicinal Chemistry for Drug Discovery
Author: Patrick Bultinck; Hans De Winter; Wilfried Langenaeker; Jan P. Tollenare