Computational Medicinal Chemistry for Drug Discovery: 1st Edition (Hardback) book cover

Computational Medicinal Chemistry for Drug Discovery

1st Edition

Edited by Patrick Bultinck, Hans De Winter, Wilfried Langenaeker, Jan P. Tollenare

CRC Press

1,169 pages

Purchasing Options:$ = USD
Hardback: 9780824747749
pub: 2003-12-17

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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.


"The 27 chapters of the volume are comprehensively written and provide extensive lists of references."

-Anticancer Research, 2006

Subject Categories

BISAC Subject Codes/Headings:
MEDICAL / Pharmacy
SCIENCE / Chemistry / General
SCIENCE / Chemistry / Physical & Theoretical