Related Experiment Video

Updated: Dec 11, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

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

Published on: June 20, 2025

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The AutoDock suite at 30

David S Goodsell1,2, Michel F Sanner1, Arthur J Olson1

  • 1Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA.

Protein Science : a Publication of the Protein Society
|August 19, 2020
PubMed

Keywords:
AutoDockactive site predictioncomputational dockingcomputer-aided drug designforce fieldpeptide-docking

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