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基于粗粒度模拟的南极细菌抗冻蛋白抑制冰生长的计算研究

Computational study on ice growth inhibition of Antarctic bacterium antifreeze protein using coarse grained simulation.

作者信息

Nguyen Hung, Le Ly, Ho Tu Bao

机构信息

Life Science Laboratory of the Institute for Computational Science and Technology at Ho Chi Minh City, Vietnam.

School of Knowledge Science of Japan Advanced Institute of Science and Technology, Nomi, Ishikawa, Japan.

出版信息

J Chem Phys. 2014 Jun 14;140(22):225101. doi: 10.1063/1.4881895.

DOI:10.1063/1.4881895
PMID:24929413
Abstract

Antarctic bacterium antifreeze proteins (AFPs) protect and support the survival of cold-adapted organisms by binding and inhibiting the growth of ice crystals. The mechanism of the anti-freezing process in a water environment at low temperature of Antarctic bacterium AFPs remains unclear. In this research, we study the effects of Antarctic bacterium AFPs by coarse grained simulations solution at a temperature range from 262 to 273 K. The results indicated that Antarctic bacterium AFPs were fully active in temperatures greater than 265 K. Additionally, the specific temperature ranges at which the water molecules become completely frozen, partially frozen, and not frozen were identified.

摘要

南极细菌抗冻蛋白(AFPs)通过结合并抑制冰晶生长来保护和支持适应寒冷环境的生物生存。南极细菌AFPs在低温水环境中的抗冻过程机制尚不清楚。在本研究中,我们通过粗粒度模拟溶液在262至273K的温度范围内研究了南极细菌AFPs的作用。结果表明,南极细菌AFPs在高于265K的温度下具有完全活性。此外,还确定了水分子完全冻结、部分冻结和未冻结的特定温度范围。

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