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The Role of Loop Dynamics in the Prediction of Ligand-Protein Binding Enthalpy

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The enthalpic and entropic components of ligand-protein binding free energy reflect the interactions and dynamics between ligand and protein. Despite decades of study, our understanding and hence our ability to... Click to show full abstract

The enthalpic and entropic components of ligand-protein binding free energy reflect the interactions and dynamics between ligand and protein. Despite decades of study, our understanding and hence our ability to...

Keywords: protein binding; dynamics prediction; ligand protein; loop dynamics; role loop; prediction ligand

Journal Title: Chemical Science
Year Published: 2023

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