Computational Medicinal Chemistry for Drug Discovery
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advanced computational drug design methods
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force field comparison
ligand binding analysis
molecular modeling techniques
pharmacophore identification
protein-ligand docking
quantum chemical calculations
Product details
- ISBN 9780824747749
- Weight: 1710g
- Dimensions: 210 x 280mm
- Publication Date: 17 Dec 2003
- Publisher: Taylor & Francis Inc
- Publication City/Country: US
- Product Form: Hardback
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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.
Patrick Bultinck, Hans De Winter, Wilfried Langenaeker, Jan P. Tollenare
