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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.

Reviews

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

-Anticancer Research, 2006

Name: Computational Medicinal Chemistry for Drug Discovery (Hardback)CRC Press 
Description: Edited by Patrick Bultinck, Hans De Winter, Wilfried Langenaeker, Jan P. TollenareContributors: Poul J. Jorgensen, Tommy Liljefors, J Evanseck, John H. van Drie, V.J. Gillet, Hugo Kubinyi, Pratim Kumar Chattaraj, Jennifer C. Wilson, Remy Hoffman, Orlando Acevedo, Paul W. Ayers, Christopher J, Barden, John M . Barnard, Andrey A. Bliznynk, Thomas Bredow, Ramon Carbo-Dorca, Lingran Chen, Peter L. Cummings, Geoff Downs, Jeffrey C. Dyason, Michael F. M. Engels, Istvan Enyedy, Johann Gasteiger, Xavier Girones, Jill E. Gready, Trygve Helgaker, Rob W. W. Hooft, Mark von Itzstein, Mati Karelson, Wim Klopper, Thierry Langer, B. Maiti, Sonja Meddeb, Ed E Moret, Ingo Muegge, Jane S. Murray, S. Nath, Per-Ola Norrby, Jeppe Olsen, Tudor I Opera, Ingrid Pettersson, Peter Politzer, Theo H. Reijmers, Jean Louis Rivail, Henry F. Schaefer III, STeve Scheiner, Christof Schwab, Phillip J. Stephens, Weitao Yang. 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...
Categories: Physical Chemistry, Medicinal & Pharmaceutical Chemistry