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Updated: Jun 22, 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

A review on molecular topology: applying graph theory to drug discovery and design

José María Amigó1, Jorge Gálvez, Vincent M Villar

  • 1Operation Research Center, Miguel Hernández University, Elche, Alicante, Spain. jm.amigo@umh.es

Die Naturwissenschaften
|June 11, 2009
PubMed

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