Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, and the Center for Advanced Biotechnology and Medicine, Rutgers University, Piscataway, New Jersey 08854, United States.
Langmuir. 2020 Nov 24;36(46):13799-13803. doi: 10.1021/acs.langmuir.0c02031. Epub 2020 Nov 13.
The ζ, or electrokinetic, potential is the effective charge energy of a molecule in a solution, defining its electrostatic interactions in the solution. A computational protocol for computing ζ potential from the high-resolution structures of proteins (ZPRED) is described. This model considers both protein and solution components and incorporates a number of electrokinetic models that account for many of the complexities of protein electrophoresis. Experimental observations of electrophoretic mobilities using a benchtop light scattering instrument match computed mobilities for different proteins over a wide range of aqueous solution conditions. ZPRED is a tool for optimizing protein sequence and solution conditions (pH, ionic composition and strength, temperature) to disperse molecules by charge repulsion, preventing aggregation. This is an important factor in enhancing the stability of engineered biologics or industrial protein catalysts.
ζ 电位，或电动电势，是溶液中分子的有效电荷能量，决定了其在溶液中的静电相互作用。描述了一种从蛋白质的高分辨率结构计算 ζ 电位的计算方案 (ZPRED)。该模型考虑了蛋白质和溶液成分，并结合了许多电动模型，这些模型解释了许多蛋白质电泳的复杂性。使用台式光散射仪对电泳迁移率进行的实验观察与不同蛋白质在广泛的水相条件下的计算迁移率相匹配。ZPRED 是一种通过电荷排斥来分散分子以防止聚集的工具，从而优化蛋白质序列和溶液条件（pH 值、离子组成和强度、温度）。这是增强工程生物制剂或工业蛋白质催化剂稳定性的重要因素。
