title: Virtual screening in structure-based drug discovery.
abstract: Recent advances in structure determination and computational methods have encouraged the development of structure-based virtual screening. Here we survey progress in the field and review the most recent methods, validation experiments and real applications, including an in-house example of hit identification for the oncology target Hsp90. These results provide a basis for discussing the current state of structure-based virtual screening and to outline the developments that are expected to have a major impact in the near future.
authors.affiliation: Vernalis (R & D) Granta Park, Cambridge, UK. x.barril@vernalis.com
authors.forename: X
authors.initials: X
authors.lastname: Barril
authors.forename: R E
authors.initials: RE
authors.lastname: Hubbard
authors.forename: S D
authors.initials: SD
authors.lastname: Morley
mesh_terms: D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D019295:Computational Biology / Q000379:methods*; D016208:Databases, Factual; D015195:Drug Design; D008956:Models, Chemical; D008958:Models, Molecular; D013329:Structure-Activity Relationship