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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Published on: June 20, 2025

Representation of target-bound drugs by computed conformers: implications for conformational libraries

Stefan Günther1, Christian Senger, Elke Michalsky

  • 1Institute for Biochemistry, Charité, Monbijoustr, 2, 10117 Berlin, Germany. stefan.guenther@charite.de

BMC Bioinformatics
|June 13, 2006
PubMed
Abstract

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