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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Reliability analysis and optimization of the consensus docking approach for the development of virtual screening

Giulio Poli1, Adriano Martinelli1, Tiziano Tuccinardi1

  • 1a Department of Pharmacy , University of Pisa , Pisa , Italy.

Journal of Enzyme Inhibition and Medicinal Chemistry
|June 18, 2016
PubMed
Summary

Consensus docking, combining multiple ligand-protein docking methods, improves virtual screening efficacy. This approach effectively identifies potential drug hit compounds, matching top-performing methods.

Keywords:
Consensus dockinghit identificationvirtual screening

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