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Updated: May 26, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

Selective flexibility of side-chain residues improves VEGFR-2 docking score using AutoDock Vina

Rui M V Abreu1, Hugo J C Froufe, Maria-João R P Queiroz

  • 1CIMO-ESA, Instituto Politécnico de Bragança, Campus de Sta Apolónia, Apartado 1172, 5301-855 Bragança, Portugal. ruiabreu@ipb.pt

Chemical Biology & Drug Design
|December 23, 2011
PubMed

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