Computatoinal medicinal chemistry for drug discovery

By:

Bultinck, Patric

Language: ENG Publication details: NA CRC Press 2009Edition: 1stDescription: 794, 24.8*18.2 Pages | Binding - Paperback |ISBN:

0-8247-4774-7

Subject(s):

PHARMACEUTICAL CHEMISTRY

DDC classification:

615.19 BUL DDC23

Online resources:

Click here to access online

Summary: 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.

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Item type	Current library	Collection	Call number	Status	Barcode
Books	School of Pharmacy Reference Section	Reference	615.19 BUL (Browse shelf(Opens below))	Not For Loan	B0669

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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.

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