Computational Medicinal Chemistry for Drug Discovery

Computational Medicinal Chemistry for Drug Discovery

Editorial Reviews
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.

Book Info
Ghent Univ., Belgium. Surveys molecular structure computation, intermolecular behavior, ligant-receptor interaction, and modeling. Explains market demands and trends and examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and conformational analysis. For researchers.

Computational Medicinal Chemistry for Drug Discovery,Patrick Bultinck,Hans De Winter,Wilfried Langenaeker,Jan Tollenare,CRC,0824747747,Chemistry - General,Chemistry - Organic,Chemistry, Pharmaceutical,Data processing,Design,Drugs,Pharmaceutical chemistry,Pharmacy,Science,Science/Mathematics,methods,Science / Chemistry / General

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