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Library design, search methods, and applications of fragment-based drug design
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.
ISBN
9780841224926 (alk. paper)
0841224927 (alk. paper)
Published
Washington, DC : American Chemical Society, c2011.
Physical Description
x, 204 p. : ill. ; 24 cm.
Format
Books
Language
English
Added to Catalog
April 11, 2012
Series
ACS symposium series ; 1076
Bibliography
Includes bibliographical references and index.
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.
Subjects
Subjects (Medical)
Small Molecule Libraries.
Also listed under
American Chemical Society. Division of Chemical Information.
American Chemical Society. Division of Computers in Chemistry.
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