Infinitely Dilute Partial Molar Properties of Proteins from Computer Simulation

Abstract

A detailed understanding of temperature and pressure effects on an infinitely dilute protein's conformational equilibrium requires knowledge of the corresponding infinitely dilute partial molar properties. Established molecular dynamics methodologies generally have not provided a way to calculate these properties without either a loss of thermodynamic rigor… (More)
DOI: 10.1021/jp508632h

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