Virtual screening: a real screening complement to high-throughput screening.
Virtual screening is being routinely used as an integral part of today's hit-identification strategies for, on one hand, prioritizing large corporate screening collections and, on the other hand, to extend the scope of screening to external databases. A brief description of the essential elements required for virtual screening and an application example to the identification of agonist hits for the oestrogen receptor subtype ER alpha are presented.
Computational Medicinal Chemistry, Organon Laboratories Ltd., Newhouse, Lanarkshire ML1 5SH, UK. j.mestres@organon.nhe.akzonobel.nl
J
J
Mestres
D004353:Drug Evaluation, Preclinical / Q000379:methods*; D004345:Drug Industry / Q000379:methods* / Q000639:trends; D015203:Reproducibility of Results; D014584:User-Computer Interface