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Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities
Published Web Location
http://europepmc.org/articles/PMC3715451?pdf=renderNo data is associated with this publication.
Abstract
A key challenge in structure-based discovery is accounting for modulation of protein-ligand interactions by ordered and bulk solvent. To investigate this, we compared ligand binding to a buried cavity in Cytochrome c Peroxidase (CcP), where affinity is dom
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