Library design, search methods, and applications of fragment-based drug design
By: Rachelle J. Bienstock, editor ; sponsored by the ACS Division of Chemical Information and ACS Division of Computers in Chemistry
Contributors: American Chemical Society. Division of Chemical Information; American Chemical Society. Division of Computers in Chemistry
Series: ACS symposium series -- 1076; ACS symposium series -- 1076.
Publisher: American Chemical Society
Published: 2011
Place of publication: Washington, DC
Language: eng
ISBN-13: 9780841224926
Subjects: Combinatorial Chemistry Techniques; Drug Discovery; Methods; Small Molecule Libraries; Drug Design
Notes: Includes bibliographical references and index.
Table of contents: title: Overview : fragment based drug design; title: Designing and searching fragment libraries; title: Validation of reaction vectors for de novo design; title: Design and application of fragment libraries for protein crystallography; title: Ligand-based virtual screening using Bayesian inference network; title: A computational fragment approach by mining the protein data bank: library design and bioisosterism; title: Computational screening : docking; title: A fragment based docking engine : eHiTS; title: Fragment-based high-throughput docking and library tailoring; title: Leads from fragments : fragment growing and linking; title: Fragment-based high-throughput docking and library tailoring; title: Fragment-based drug discovery for diseases of the central nervous system.