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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Underexplored Ligand-Binding Features of FabI From Staphylococcus aureus and Escherichia coli: A Comparative

Pedro Tenório T F Leite1, Lucas H S Ocarino1, Gabriel C Veríssimo1

  • 1Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Minas Gerais, Brazil.

Chemmedchem
|July 31, 2026
PubMed

Keywords:
FabIantibacterialsmolecular dynamicsmolecular modelingpharmacophore applications

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