Quantum dynamics simulations are used to test and validate the hypothesis that enhanced electronic activity and energetic efficiency in hydrated proteins are due to water-mediated proton hopping between peptide and peptenol states. Water is thereby an integral part of the electronic structure of a ‘live’ protein prior to denaturation.
Water Mediated Proton Hopping Empowers Proteins
David Porter and Fritz Vollrath
Soft Matter, 2013,9, 643-646 DOI: 10.1039/C2SM27155A