Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation

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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

M Mangoni1, D Roccatano, A Di Nola

  • 1Department of Chemistry, University of Rome, Italy.

Proteins
|May 1, 1999
PubMed

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Conserved Binding Sites

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