Seminar 2nd December 2011 4 p.m. 58/1067
Simple Cell, Complex Envelope: Modelling The Heterogeneous Membranes Of E. Coli
Dr Syma Khalid
University of Southampton, Chemistry
- Web page
- http://www.southampton.ac.uk/chemistry/research/staff/sk2x07.page
- Categories
- Biomedical, Biomolecular Organisation, Biomolecular simulations, Complex Systems, Nanoscale Assemblies
- Submitter
- Petrina Butler
Dr Syma Khalid
Complex Systems Simulation Seminar Series (CS^4)
from the Institute for Complex Systems Simulation, the Complexity in Real-World Contexts USRG, and the Computational Modelling Group.
Speaker
Dr Syma Khalid http://cmg.soton.ac.uk/people/sk2x07/
Abstract
Gram-negative bacteria such as E.coli are typically regarded as "simple" model organisms, yet their cell envelopes are surprisingly complex. Recent experimental and theoretical studies have revealed that contrary to the traditional view of the cell membrane as a passive bystander in membrane protein function, it plays a key role in protein folding, assembly, and function. To study the influence of the bacterial membrane on the dynamics of embedded proteins, we have performed atomistic molecular dynamics simulations of members of the TonB-dependent transporter family of proteins from E.coli. In particular, our aim has been to capture the details of lipid composition; we have modeled the outer membrane as an asymmetric bilayer containing an asymmetric distribution of lipopolysaccharide (LPS) and heterogeneous phospholipid mixtures. Our simulations enable us to explore the dynamics of the extracellular loops with a level of detail that is not possible using more traditional, simpler model membranes. By extending the simulation timescales out to hundreds of nanoseconds we are gaining new insights into the influence of "realistic" membrane environments on the structure and dynamics of membrane proteins.
Refreshments
Available from 5pm, lecture starts at 4pm.
Complex Systems Simulation Seminar Series
For the complete CS^4 schedule please click here: http://www.multidisciplinary.soton.ac.uk/cs4.html
Contact
Petrina Butler
Multidisciplinary Research Co-ordinator
University Strategic Research Groups
Research and Innovation Services
p.butler@soton.ac.uk
02380 593244