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Title Library design, search methods, and applications of fragment-based drug design / Rachelle J. Bienstock, editor ; sponsored by the ACS Division of Chemical Information and ACS Division of Computers in Chemistry
Published Washington, DC : American Chemical Society, ©2011
Online access available from:
American Chemical Society Symposium Series ebook    View Resource Record  


Description 1 online resource (1 volume)
Series ACS symposium series ; 1076
ACS symposium series ; 1076. 0097-6156
Contents Overview : fragment based drug design -- Designing and searching fragment libraries -- Validation of reaction vectors for de novo design -- Design and application of fragment libraries for protein crystallography -- Ligand-based virtual screening using Bayesian inference network -- A computational fragment approach by mining the protein data bank: library design and bioisosterism -- Computational screening : docking -- A fragment based docking engine : eHiTS -- Fragment-based high-throughput docking and library tailoring -- Leads from fragments : fragment growing and linking -- Fragment-based high-throughput docking and library tailoring -- Fragment-based drug discovery for diseases of the central nervous system
Bibliography Includes bibliographical references and index
Notes Print version record
Subject Drugs -- Design.
Combinatorial Chemistry Techniques.
Drug Design.
Drug Discovery -- methods.
Small Molecule Libraries.
Form Electronic book
Author Bienstock, Rachelle J.
American Chemical Society. Division of Chemical Information.
American Chemical Society. Division of Computers in Chemistry.
ISBN 0841224927 (alk. paper)
0841224935 (electronic bk.)
9780841224926 (alk. paper)
9780841224933 (electronic bk.)