Molecular Informatical Breakthrough on the Water Molecule Network Controlled by Biomacromolecules and Cosolvents

在极端环境下生活的生物体的细胞中，有机共溶剂，如氨基酸或糖，会以高浓度积累。本研究旨在了解助溶剂的加入对水分子性质和生物大分子功能的影响。利用分子动力学模拟结合液体统计力学理论，阐明了助溶剂保护蛋白质结构抵抗高温的一些微观机制。

In the cells of organisms living in the extreme environments, organic cosolvents, such as amino acids or sugars, are accumulated in high concentrations. This study aims to understand the influence of cosolvent additions on the property of water molecules and on the function of biomacromolecules. Using the molecular dynamic simulation combined with the statistical mechanical theory of liquid, some of the microscopic mechanisms of cosolvent protecting the protein structure against the high temperature were elucidated.