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
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
