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Zeta Potential Prediction from Protein Structure in General Aqueous Electrolyte Solutions
Langmuir ( IF 3.7 ) Pub Date : 2020-11-13 , DOI: 10.1021/acs.langmuir.0c02031 Daniel R Grisham 1 , Vikas Nanda 1
Langmuir ( IF 3.7 ) Pub Date : 2020-11-13 , DOI: 10.1021/acs.langmuir.0c02031 Daniel R Grisham 1 , Vikas Nanda 1
Affiliation
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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.
中文翻译：
从普通水溶液中的蛋白质结构预测Zeta电位
ζ或电动势是溶液中分子的有效电荷能，定义了其在溶液中的静电相互作用。描述了一种用于从蛋白质的高分辨率结构（ZPRED）计算ζ电势的计算协议。该模型考虑了蛋白质和溶液成分，并结合了许多电动模型，这些模型说明了蛋白质电泳的许多复杂性。使用台式光散射仪进行电泳迁移率的实验观察结果，可以在很宽的水溶液条件下匹配计算出的针对不同蛋白质的迁移率。ZPRED是用于优化蛋白质序列和溶液条件（pH，离子组成和强度，温度）以通过电荷排斥作用分散分子，防止聚集的工具。
更新日期：2020-11-25
中文翻译：
从普通水溶液中的蛋白质结构预测Zeta电位
ζ或电动势是溶液中分子的有效电荷能，定义了其在溶液中的静电相互作用。描述了一种用于从蛋白质的高分辨率结构（ZPRED）计算ζ电势的计算协议。该模型考虑了蛋白质和溶液成分，并结合了许多电动模型，这些模型说明了蛋白质电泳的许多复杂性。使用台式光散射仪进行电泳迁移率的实验观察结果，可以在很宽的水溶液条件下匹配计算出的针对不同蛋白质的迁移率。ZPRED是用于优化蛋白质序列和溶液条件（pH，离子组成和强度，温度）以通过电荷排斥作用分散分子，防止聚集的工具。
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