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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

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Performance and Its Limits in Rigid Body Protein-Protein Docking

Israel T Desta1, Kathryn A Porter1, Bing Xia1

  • 1Department of Biomedical Engineering, Boston University, Boston, MA 02215, USA.

Structure (London, England : 1993)
|July 11, 2020
PubMed

Keywords:
CAPRIClusPro docking serverSwarmDockdocking benchmarkdocking performance evaluationfast Fourier transformflexible dockingscoring functionstructure prediction

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