High-throughput docking as a source of novel drug leads.
Receptor-based virtual screening has become a viable source of novel leads in the pharmaceutical industry. The rapidly growing availability of structural information across protein families, the accessibility to increased computational power at affordable cost, as well as an improved understanding on how to effectively apply virtual screening technologies has contributed to their emergence. Nonetheless, continued improvement in the accuracy of scoring functions and a greater understanding of protein mobility is critical to advance the technology further.
Alvarez
Juan C
JC
Chemical and Screening Sciences, Wyeth Research, 200 Cambridge Park Drive, Cambridge Massachusetts 02140, USA. jalvarez@wyeth.com
D001665:Binding Sites; D017076:Computer-Aided Design; D015195:Drug Design; D008024:Ligands; D011506:Proteins / Q000737:chemistry*; D013329:Structure-Activity Relationship
D008024:Ligands; D011506:Proteins