Virtual Screening in Structure-Based Drug Discovery

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

Journal Name: Mini-Reviews in Medicinal Chemistry

Volume 4 , Issue 7 , 2004

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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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Article Details

Year: 2004
Page: [779 - 791]
Pages: 13
DOI: 10.2174/1389557043403675
Price: $58

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