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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

Analysis of binding modes of ligands to multiple conformations of CYP3A4

Vitor H Teixeira1, Vera Ribeiro, Paulo J Martel

  • 1Centro de Biomedicina Molecular e Estrutural/Institute of Biotechnology and Bioengineering, Universidade do Algarve, Faculdade de Ciências e Tecnologia, Campus de Gambelas, 8005-139 Faro, Portugal.

Biochimica Et Biophysica Acta
|July 6, 2010
PubMed

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