Integration of virtual and physical screening

Fara DC, Oprea TI, Prossnitz ER, Bologa CG, Edwards BS, Sklar LA
Drug Discovery Today: Technologies - vol. 3 377-385 (2006)

Drug Discovery Today: Technologies

High-throughput screening (HTS) represents the dominant technique for the identification of new lead compounds in current drug discovery. It consists of physical screening (PS) of large libraries of chemicals against one or more specific biological targets. Virtual screening (VS) is a strategy for in silico evaluation of chemical libraries for a given target, and can be integrated to focus the PS process. The present work addresses the integration of both PS and VS, respectively. ?? 2006 Elsevier Ltd. All rights reserved.