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Thermodynamic Model for Partition Coefficients in the Two Protein Systems

机译:两种蛋白质系统中分配系数的热力学模型

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摘要

The equation of state developed herein is predicated on a hard-sphere reference with perturbations introduced via a potential function to account for electrostatic forces and for attraction between protein particles. During this process, the generalized Lennard-Jones (GLJ) pair potential function is employed. The GLJ pair potential function is employed to represent the protein-protein interaction in two-protein systems. Via the use of the relation between the equation of state and the chemical potential, the phase behavior in the aqueous two-protein system can be estimated. The partition coefficients can be obtained via these processes. The calculated values of the coefficients agree fairly well with the experimental data in the given pH and ionic strength range, with no additional adjustable model parameters.
机译:本文开发的状态方程是在硬球参考上进行预测的,其中通过势函数引入了扰动,以说明静电力和蛋白质颗粒之间的吸引力。在此过程中,将使用广义Lennard-Jones(GLJ)对势函数。 GLJ对势函数用于表示两种蛋白质系统中的蛋白质-蛋白质相互作用。通过使用状态方程和化学势之间的关系,可以估算水性二蛋白系统中的相行为。可以通过这些过程获得分配系数。系数的计算值与给定pH和离子强度范围内的实验数据非常吻合,没有其他可调整的模型参数。

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