Relation of Protein Electrostatic Properties to Separations Behavior

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The project examines calculations of protein electrostatic properties and electrostatic interactions with charged surfaces. The detailed molecular structure of the proteins is used in calculating the local and the mean molecular surface potential. A new boundary-integral method, which includes calculation of nonlinear electric double layer effects, is used. The results are used as a basis for precise calculations of electrophoretic mobilities and adsorption equilibria of proteins. Experiments aim at determining electrophoretic mobilities for electrophoretic separations and ion exchange chromatographic retention separations.//