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Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

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Are protein-ligand docking programs good enough to predict experimental poses of noncovalent ligands bound to the

Ariadna Llop-Peiró1, Guillem Macip2, Santiago Garcia-Vallvé1

  • 1Departament de Bioquímica i Biotecnologia, Universitat Rovira i Virgili, Research group in Cheminformatics & Nutrition, 43007 Tarragona, Catalonia, Spain.

Drug Discovery Today
|August 16, 2024
PubMed

Keywords:
3CL-ProCOVID-19chemotype diversityconsensus protein–ligand dockingvirtual screening

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