Relation of Protein Electrostatic Properties to Separations Behavior

该项目研究了蛋白质静电性质的计算以及与带电表面的静电相互作用。蛋白质的详细分子结构被用来计算局部和平均分子表面势。采用了一种新的边界积分法，其中包含了非线性电双层效应的计算。这些结果被用作精确计算蛋白质的凝胶迁移率和吸附平衡的基础。实验的目的是确定用于电泳分离和离子交换层析保留分离的电泳迁移率。

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.//