Virtual screening and fast automated docking methods.

Gisbert Schneider; Hans-Joachim Böhm

doi:10.1016/s1359-6446(01)02091-8

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PubMed · 11790605

Virtual screening and fast automated docking methods.

Gisbert Schneider·Hans-Joachim Böhm

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Abstract

Recent advances in high-throughput protein structure determination and in computational chemistry have refocused attention on virtual screening and fast automated docking methods. This review provides a brief introduction to the basic ideas and outlines computational tools currently used. We also provide several examples of where virtual screening has proved successful, highlighting the usefulness of the approach.

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Combinatorial Chemistry Techniques Drug Design Drug Evaluation, Preclinical Enzyme Inhibitors Humans Molecular Conformation Topoisomerase II Inhibitors Journal Article Review

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Gisbert Schneider, Hans-Joachim Böhm. 2002-01-01. Virtual screening and fast automated docking methods.. https://doi.org/10.1016/s1359-6446(01)02091-8

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