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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Computational prediction of drug binding and rationalisation of selectivity towards cytochromes P450

Eva Stjernschantz1, Nico P E Vermeulen, Chris Oostenbrink

  • 1Vrije Universiteit Amsterdam, Leiden/Amsterdam Centre for Drug Research, Division of Molecular Toxicology, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.

Expert Opinion on Drug Metabolism & Toxicology
|May 20, 2008
PubMed
Abstract

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