OMSys: Towards a systems model of a bacterial outer membrane

许多细菌都有一层外膜，它是细胞与环境之间的界面。这种膜的组成部分在个体水平上得到了很好的研究，但需要将外膜作为一个整体进行建模和理解。在这个项目中，我们的目标是开发这样一个细菌外膜的模型，将组件分子的计算机模拟与一种更“系统生物学”的方法联系起来，将外膜作为一个整体建模。这样一种建模OM的方法必须是多尺度的，即它必须包含多个级别，从例如组分蛋白质的原子级建模到外膜内多个组分作为一个整体的相互作用的更高级别的“基于代理”建模。将整合不同级别的描述，以实现预测建模，从而探索外膜变化在例如抗生素耐药性中的作用。

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.