Infinitely Dilute Partial Molar Properties of Proteins from Computer Simulation

• Published 2014 in The journal of physical chemistry. B

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