Modeling of proteins under non-natural conditions: organic solvents, high pressure, high temperature (C01)

在子项目C.1中，模拟在非自然条件下工业生物技术中广泛应用的蛋白质，研究溶剂分子与蛋白质表面结合的分子机制，有机溶剂、高压或温度对蛋白质展开和聚集的作用。更详细地了解蛋白质结构和动力学的变化是设计改进的生物催化剂和优化工艺条件的先决条件。

In sub-project C.1, proteins that are widely used in industrial biotechnology are simulated under non-natural conditions to investigate the molecular mechanism of binding of solvent molecules to the protein surface, the unfolding and aggregation of proteins by organic solvents, high pressure or temperature. A more detailed understanding of the changes of protein structure and dynamics is a prerequisite for the design of improved biocatalysts and the optimization of process conditions.