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Updated: Feb 17, 2026

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

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Communication breakdown: protein dynamics and drug design.

Jeffrey W Peng

    Structure (London, England : 1993)
    |March 13, 2009
    PubMed
    Summary

    Drug binding can disrupt essential collective protein motions, impacting protein function. This finding is crucial for advancing drug discovery in pharmaceutical research.

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