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小组(离子通道的分子模拟)和Cockroft小组(合成功能性蛋白质纳米孔)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构建的人工酶的设计和操作提供机械方面的见解。这一跨学科项目将提供必要的计算建模软件/方法方面的培训，并将其更广泛地应用于跨膜分子机器的设计。成功的候选人将与建造这样的系统和单通道电生理记录的原子解释的实验者密切合作。

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.