Award details

OMSys: Towards a systems model of a bacterial outer membrane

Reference	BB/H000658/1
Principal Investigator / Supervisor	Professor Syma Khalid
Co-Investigators / Co-Supervisors
Institution	University of Southampton
Department	Sch of Chemistry
Funding type	Research
Value (£)	295,901
Status	Completed
Type	Research Grant
Start date	01/12/2009
End date	30/11/2012
Duration	36 months

Abstract

In this project we aim to develop a model of a bacterial outer membrane (OM), linking biomolecular simulations through to computational systems biology approaches. Such an approach to modelling an OM must be multi-scale i.e. it must embrace a number of levels: (i) atomistic level modelling of protein/ligand interactions; (ii) coarse-grained modelling of both outer membrane proteins and lipoproteins and of their lipopolysaccharide/phospholipid/peptidoglycan environment; and (iii) higher level e.g. agent-based modelling of the interplay of multiple components within the OM as a whole. The different levels of description will be integrated to enable predictive modelling of bacterial OMs in order to explore the roles of OM changes in e.g. antibiotic resistance and envelope stress responses.

Summary

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.

Committee	Research Committee C (Genes, development and STEM approaches to biology)
Research Topics	Microbiology, Systems Biology
Research Priority	Systems Approach to Biological research, Technology Development for the Biosciences
Research Initiative	X - not in an Initiative
Funding Scheme	X – not Funded via a specific Funding Scheme

Associated awards:

BB/H000267/1 OMSys: Towards a systems model of a bacterial outer membrane

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