1932

Abstract

Although computational techniques are increasingly being used in computer-aided drug design, the effects due to protein flexibility are still ignored in many applications. This review revisits rigorous statistical mechanical methods for predicting binding affinity, discusses some recent developments for improving their speed and reliability, and examines faster approximate models for facilitating virtual screening and lead optimization.

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/content/journals/10.1146/annurev.pharmtox.43.100901.140216
2003-04-01
2024-06-14
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/content/journals/10.1146/annurev.pharmtox.43.100901.140216
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  • Article Type: Review Article
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