Understanding interactions between minerals and small biopolymers under extreme conditions

该项目结合了计算筛选和湿实验室实验，以全面了解硅酸盐矿物与小的生物相关分子（如氨基酸，肽，类肽和蛋白质）之间的相互作用。我们的目标是研究这些有机分子的稳定性及其对环境条件的矿物质适应性。我们将着重于在极端环境条件下对盐度、离子组成和pH值的影响进行取样。该项目是数据驱动的，从分子模拟中获得的统计数据将用于指导实验研究。这种策略使我们能够建立一个协议，其中计算筛选用于采样矿物生物有机系统，通知和指导实验室测试。

This project combines computational screening and wet-lab experiments to develop a comprehensive understanding of the interactions between silicate minerals and small biologically-relevant molecules,such as amino acids, peptides, peptoids and proteins. Our goal is to study the stability of these organic molecules and their mineral-enabled adaptability to environmental conditions. We will focus onsampling the effects of salinity, ion compositions and pH at the extremes of environmental conditions. The project is data-driven, where the statistics obtained from molecular simulations will be used toguide the experimental studies. Such strategy allows us to establish a protocol where computational screening is used to sample mineral-bioorganic systems, informing and directing laboratory tests.