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首页> 外文期刊>The Journal of Chemical Physics >Protein interactions and phase behavior: Sensitivity to the form of the pair potential
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Protein interactions and phase behavior: Sensitivity to the form of the pair potential

机译:蛋白质相互作用和相行为:对电位对的敏感性

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摘要

A robust correlation between experimentally determinable parameter, B_2/B_2~(HS), and protein solubility is explored. Here B_2 is the protein solution second virial coefficient and B_2~(HS) = 2#pi##sigma#~3/3 is the hard sphere second virial coefficient of the protein whose core is described as a sphere with diameter #sigma#. The origin of this correlation, which extends over three decades in solubility, is discussed in terms of the phase behavior of simple fluids composed of particles experiencing short range attractions. For a given solubility B_2/B_2~(HS) values cluster in a narrow range for a variety of protein solution conditions. However, the value of B_2/B_2~(HS) at the metastable fluid/fluid transition remains as sensitive solution conditions. We discuss this sensitivity in terms of phase behavior predicted for particles interacting with the three parameter, square well and Yukawa potentials where metastable critical points are sensitive to the range of attraction. The position of this critical point relative to the solubility boundary and the ease of crystal nucleation are found to depend on solution conditions.
机译:探索了实验可确定的参数B_2 / B_2〜(HS)与蛋白质溶解度之间的强相关性。此处,B_2是蛋白质溶液的第二病毒系数,B_2〜(HS)= 2#pi ## sigma#〜3/3是蛋白质的硬球第二病毒系数,其核心被描述为直径为#sigma#的球体。根据由经历短程吸引力的粒子组成的简单流体的相行为,讨论了这种相关性的起源,该相关性的溶解性持续了三十多年。对于给定的溶解度,对于各种蛋白质溶液条件,B_2 / B_2〜(HS)值均在狭窄范围内聚集。然而,亚稳流体/流体跃迁中的B_2 / B_2〜(HS)值仍作为敏感的溶液条件。我们根据相行为的预测来讨论这种灵敏度,该相行为是针对与三个参数相互作用的粒子(方阱和汤河势)进行的,其中亚稳态临界点对吸引范围敏感。发现该临界点相对于溶解度边界的位置和晶体成核的容易性取决于溶液条件。

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