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球状蛋白质模型的晶体成核

Crystal nucleation for a model of globular proteins.

作者信息

Shiryayev Andrey, Gunton James D

机构信息

Department of Physics, Lehigh University, Bethlehem, Pennsylvania 18015, USA.

出版信息

J Chem Phys. 2004 May 1;120(17):8318-26. doi: 10.1063/1.1695321.

Abstract

A continuum model of globular proteins proposed by Talanquer and Oxtoby [J. Chem. Phys. 109, 223 (1998)] is investigated numerically, with particular emphasis on the region near the metastable fluid-fluid coexistence curve. Classical nucleation theory is shown to be invalid not only in the vicinity of the metastable critical point but also close to the liquidus line. An approximate analytic solution is also presented for the shape and properties of the nucleating crystal droplet.

摘要

对塔兰克尔和奥克斯托比[《化学物理杂志》109, 223 (1998)]提出的球状蛋白质连续介质模型进行了数值研究,特别关注亚稳液 - 液共存曲线附近的区域。结果表明,经典成核理论不仅在亚稳临界点附近无效,在液相线附近也不适用。还给出了成核晶体液滴形状和性质的近似解析解。

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