Charge-induced patchy attractions between proteins.

Charge-induced patchy attractions between proteins.
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蛋白质之间电荷引起的斑块吸引力。

DOI:
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发表时间:
2015
影响因子:
3.3
通讯作者:
Malin Zackrisson Oskolkova
Malin Zackrisson Oskolkova
中科院分区:
化学3区
文献类型:
--
作者:
Weimin Li;B. Persson;Maxim Morin;M. Behrens;Mikael Lund;Malin Zackrisson Oskolkova

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静态光散射(SLS)与基于结构的蒙特卡罗(MC)模拟相结合,为研究各向异性、有吸引力的蛋白质相互作用背后的机制提供了新的见解。渗透性第二维里系数的非单调行为作为离子强度的函数,在这里显示了源于几个带电氨基酸形成静电吸引斑块,高度定向和互补。与库仑斥力一起,这个吸引块导致两个相互抵消的静电对相互作用自由能的贡献,通过在不同长度尺度上操作,在实验和模拟中观察到的第二维里系数中表现出微妙的,盐诱导的最小值。
Static light scattering (SLS) combined with structure-based Monte Carlo (MC) simulations provide new insights into mechanisms behind anisotropic, attractive protein interactions. A nonmonotonic behavior of the osmotic second virial coefficient as a function of ionic strength is here shown to originate from a few charged amino acids forming an electrostatic attractive patch, highly directional and complementary. Together with Coulombic repulsion, this attractive patch results in two counteracting electrostatic contributions to the interaction free energy which, by operating over different length scales, is manifested in a subtle, salt-induced minimum in the second virial coefficient as observed in both experiment and simulations.
DOI: 10.1039/c3sm52175c
发表时间: 2014-01-14
期刊: Soft matter
影响因子: 3.4
作者:
Fusco D;Headd JJ;De Simone A;Wang J;Charbonneau P
通讯作者: Charbonneau P