Drug Screening
Virtual screening in drug discovery RM301
2004-059300
0-8247-5479-4
Virtual screening in drug discovery.
Title main entry. Ed. by Juan Alvarez and Brian Shoichet.
Taylor & Francis, [c]2005
470 p.
$134.96
Chemists in various specialties and from many countries offer perspectives on virtual screening, which uses computational tools to identify biologically active molecules against specific targets for potential new drugs. The also cover compound and hit suitability for the technique, ligand-based virtual screening approaches, important considerations impacting molecular docking, and docking strategies and algorithms. Because the technique tests far fewer compounds than high throughput screening, it must hold out promise of higher hit rates, which can be attained by the increased robustness of computational algorithms and scoring functions, the availability of affordable computational power, and the potential for timely structural determination of target molecules.
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