title: Shape Signatures: speeding up computer aided drug discovery.
abstract: Identifying potential lead molecules is becoming a more automated process. We review Shape Signatures, a tool that is effective and easy to use compared with most computer aided drug design techniques. Laboratory researchers can apply this in silico technique cost-effectively without the need for specialized computer backgrounds. Identifying a potential lead molecule requires database screening, and this becomes rate-limiting once the database becomes too large. The use of Shape Signatures eliminates this concern and offers molecule screening rates that are in advance of any currently available method. Shape Signatures provides a conduit for researchers to conduct rapid identification of potential active molecules, and studies with this tool can be initiated with only one bioactive lead or receptor site.
authors.affiliation: Department of Chemistry & Biochemistry, University of the Sciences in Philadelphia, Philadelphia, PA 19104, USA. p.meek@usip.edu
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Meek
authors.forename: ZhiWei
authors.initials: Z
authors.lastname: Liu
authors.forename: LiFeng
authors.initials: L
authors.lastname: Tian
authors.forename: Ching Y
authors.initials: CY
authors.lastname: Wang
authors.forename: William J
authors.initials: WJ
authors.lastname: Welsh
authors.forename: Randy J
authors.initials: RJ
authors.lastname: Zauhar
mesh_terms: D017076:Computer-Aided Design; D015195:Drug Design; D008968:Molecular Conformation