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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

Automated docking of highly flexible ligands by genetic algorithms: a critical assessment

Marco Cecchini1, Peter Kolb, Nicolas Majeux

  • 1Department of Biochemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland.

Journal of Computational Chemistry
|December 30, 2003
PubMed

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