Virtual screening in structure-based drug discovery.

X Barril; R E Hubbard; S D Morley

doi:10.2174/1389557043403675

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Virtual screening in structure-based drug discovery.

X Barril·R E Hubbard·S D Morley

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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.

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Combinatorial Chemistry Techniques Computational Biology Databases, Factual Drug Design Models, Chemical Models, Molecular Structure-Activity Relationship Journal Article Review

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X Barril, R E Hubbard, S D Morley. 2004. Virtual screening in structure-based drug discovery.. https://doi.org/10.2174/1389557043403675

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