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.
The book contains predominantly black-and-white illustrations, with some color illustrations.
Synopsis
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.
Booknews
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.
About the Author, Charifson
Charifson, Paul S., PhD (Vertex Pharmaceuticals Incorporated)
The contributors represent the specialties of pharmacology, pharmaceutical chemistry, and computer-assisted molecular structure and design. Most are from U.S. pharmaceutical corporations, research laboratories, and universities, including Univ of Georgia-Athens and Glaxo Wellcome, Inc.
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.
