The role of virtual screening in computer aided structure-based drug design
- Author(s)
- Branson, KM; Smith, BJ;
- Details
- Publication Year 2004,Volume 57,Issue #11,Page 1029-1037
- Journal Title
- AUSTRALIAN JOURNAL OF CHEMISTRY
- Publication Type
- Journal Article
- Abstract
- The pharmaceutical industry has embraced computational methods to improve the successful negotiation of hits and leads into drugs in the clinic. This review examines the current status of in silico screening methods and aspects of compound library design.
- Publisher
- C S I R O PUBLISHING
- Keywords
- PROTEIN-LIGAND INTERACTIONS; FAVORABLE BINDING-SITES; HIGH-THROUGHPUT DOCKING; DE-NOVO DESIGN; HYDROGEN-BOND FUNCTIONS; HIGH-AFFINITY LIGANDS; MOLECULAR DOCKING; SCORING FUNCTION; 3-DIMENSIONAL STRUCTURE; GENETIC ALGORITHM
- Publisher's Version
- https://doi.org/10.1071/CH04161
- Terms of Use/Rights Notice
- Refer to copyright notice on published article.
Creation Date: 2004-01-01 12:00:00