Relation of Protein Electrostatic Properties to Separations Behavior

该项目研究蛋白质静电的计算 性质和静电相互作用 表面。 蛋白质的详细分子结构是 用于计算局部和平均分子表面 潜力 提出了一种新的边界积分方法， 非线性双电层效应的计算， 采用 结果被用作精确计算的基础。 电泳迁移率和吸附的计算 蛋白质平衡 实验旨在确定 用于电泳分离的电泳迁移率， 离子交换色谱保留分离。//

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.//