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Mini-Reviews in Medicinal Chemistry


ISSN (Print): 1389-5575
ISSN (Online): 1875-5607

Virtual Screening in Structure-Based Drug Discovery

Author(s): X. Barril, R. E. Hubbard and S. D. Morley

Volume 4, Issue 7, 2004

Page: [779 - 791] Pages: 13

DOI: 10.2174/1389557043403675

Price: $65


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.

Keywords: virtual screening, in-silico screening, docking, structure-based drug design, hsp90, binding mode, prediction, seeded libraries

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