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Article

Probing the dynamic nature of water molecules and their influences on ligand binding in a model binding site.

Journal of chemical information and modeling - 24 Oct 2011

Cappel Daniel, Wahlström Rickard, Brenk Ruth, Sotriffer Christoph A

Abstract excerpt

The model binding site of the cytochrome c peroxidase (CCP) W191G mutant is used to investigate the structural and dynamic properties of the water network at the buried cavity using computational methods supported by crystallographic analysis. In particular, the differences of the hydration pattern between the uncomplexed state and various complexed forms are analyzed as well as the differences between five...

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PMID: 21916516
DOI: 10.1021/ci200052j

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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