Thirteen contributions document recent advances in computational methods associated with the design of new pharmaceutical agents. Topics include improvements to underlying molecular mechanics frameworks; pharmacophore-mapping techniques; the generation of 3D chemical structure databases; three-dimensional quantitative structure-activity relationships (3D-QSAR); experimental design of chemical libraries as research tools for screening and lead discovery; methods for docking flexible molecules into protein-binding sites; and recent attempts at predicting binding affinities. Annotation c. by Book News, Inc., Portland, Or.
This lucid resource documents the most up-to-date advances in computational methods associated with the design of new pharmaceutical agents-covering essential topics including techniques derived from considering the ligand or receptor as starting design points and improvements to underlying molecular mechanics frameworks.
