Estimating binding affinities by docking/scoring methods using variable protonation states

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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

Min-Sun Park1, Cen Gao, Harry A Stern

  • 1Department of Biochemistry and Biophysics, University of Rochester, Rochester, New York 14642, USA.

Proteins
|November 9, 2010
PubMed

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