Article
Water-mediated biomolecular dynamics and allostery.
The Journal of chemical physics - 28 Jun 2020
Leitner David M, Hyeon Changbong, Reid Korey M
Abstract excerpt
Dynamic coupling with water contributes to regulating the functional dynamics of a biomolecule. We discuss protein-water dynamics, with emphasis on water that is partially confined, and the role of protein-confined water dynamics in allosteric regulation. These properties are illustrated with two systems, a homodimeric hemoglobin from Scapharca inaequivalvis (HbI) and an A2A adenosine receptor (A2AAR). For HbI,...
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