Computational Biophysics of Synthetically Engineered Protein Nanopores

该项目将应用分子建模和模拟来开发合成增强的跨膜蛋白纳米孔。该项目汇集了Zachariae集团（离子通道的分子模拟）和Cockroft集团（合成功能化蛋白质纳米孔）的专业知识。该项目的目的是为跨膜分子泵和由化学修饰的跨膜蛋白质构建的人工酶的设计和操作提供机械见解。这个跨学科的项目将提供必要的计算建模软件/方法及其更广泛的应用，跨膜分子机器的设计培训。成功的候选人将与构建此类系统的实验学家密切合作，并对单通道电生理记录进行原子论解释。

The project will apply molecular modelling and simulations to the development of synthetically augmented transmembrane protein nanopores. The project brings together the expertise of the Zachariae group (molecular simulation of ion channels) and Cockroft group (synthetically functionalised protein nanopores). The aim of the project is to provide mechanistic insights into the design and operation of transmembrane molecular pumps and artificial enzymes constructed from chemically modified transmembrane proteins. This interdisciplinary project will provide training in the requisite computational modelling software/methods and its broader application to the design of membrane-spanning molecular machines. The successful candidate will work in close partnership with experimentalists constructing such systems and the atomistic interpretation of single-channel electrophysiological recordings.