Redox entropy of plastocyanin: developing a microscopic view of mesoscopic polar solvation.

Abstract

We report applications of analytical formalisms and molecular dynamics (MD) simulations to the calculation of redox entropy of plastocyanin metalloprotein in aqueous solution. The goal of our analysis is to establish critical components of the theory required to describe polar solvation at the mesoscopic scale. The analytical techniques include a… (More)
DOI: 10.1063/1.2904879

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