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Temperature-Dependent Enzyme-Ligand Recognition Emerges from the Coupling of Protein Dynamics and Hydration

Binny Rudani et al.
HAL (France) · Papers
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Abstract Protein–ligand interactions are governed by a subtle interplay between binding thermodynamics, protein dynamics, and hydration. However, how these factors are coupled remains poorly understood, particularly for enzymes whose function depends on coordinated water rearrangements. Here, we inv
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