Project overview
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.
Research outputs
2018, Structure, 26(8), 1151-1161
Type: article
2017, Biophysical Journal, 113(7), 1496-1504
Type: article
James Graham, Jonathan Essex & Syma Khalid,
2017, Journal of Chemical Information and Modeling, 57(4), 650-656
Type: article
2016, Structure, 24(12), 2227-2236
Type: article
2016, Biophysical Journal, 111(8), 1692-1702
Type: article
2016, PLoS ONE, 11(6), 1-18
Type: article
2015, PLoS Computational Biology, 11(4), 1-17
Type: article