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
Uptake of monoaromatic hydrocarbons during biodegradation by FadL channel-mediated lateral diffusion
2020, Nature Communications, 11(1)
Type: article
2020, Annual Review of Physical Chemistry, 71, 171-188
Type: review
2019, The Journal of Physical Chemistry B, 123(17), 3567-3575
Type: article
2019, Journal of Chemical Theory and Computation, 15(4), 2608-2619
Type: article
2019, The Journal of Physical Chemistry B
Type: article
2018, Accounts of Chemical Research
Type: article
Graham M. Saunders, Hannah E. Bruce Macdonald, Jonathan W. Essex & Syma Khalid,
2018, Biophysical Journal, 1-12
Type: article