Articles with "role loop" as a keyword



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

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Published in 2023 at "Chemical Science"

DOI: 10.1039/d2sc06471e

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... read more here.

Keywords: protein binding; dynamics prediction; ligand protein; loop dynamics ... See more keywords