OMSys: Towards a systems model of a bacterial outer membrane

许多细菌都有外膜，这是细胞与其环境之间的界面。该膜的组成部分在个体水平上得到了很好的研究，但有必要对整个外膜进行建模和理解。在这个项目中，我们的目标是开发这样一个细菌外膜模型，将组成分子的计算机模拟与更“系统生物学”的方法联系起来，将外膜作为一个整体进行建模。这种建模OM的方法必须是多尺度的，也就是说，它必须包含多个层面，从原子层面的建模，例如组件蛋白质，到更高层次的“基于代理”的建模，即外膜内多个组件作为一个整体的相互作用。将整合不同层次的描述，以实现预测建模，以便探索外膜变化在抗生素耐药性等方面的作用。

Many bacteria have an outer membrane which is the interface between the cell and its environment. The components of this membrane are well studied at an individual level, but there is a need to model and understand the outer membrane as a whole. In this project we aim to develop such a model of a bacterial outer membrane, linking computer simulations of the component molecules through to a more 'systems biology' approach to modelling the outer membrane as a whole. Such an approach to modelling an OM must be multi-scale i.e. it must embrace a number of levels ranging from atomistic level modelling of e.g. the component proteins through to higher level 'agent-based' modelling of the interplay of multiple components within the outer membrane as a whole. The different levels of description will be integrated to enable predictive modelling in order to explore the roles of outer membrane changes in e.g. antibiotic resistance.