Prof Syma Khalid



We develop and use computational models to establish an atomistic-level understanding of bacterial cell envelope organisation and function

Prof Syma Khalid

Professor of Computational Microbiology

The structure-dynamics-function relationships within bacterial cell envelopes

Bacteria are protected by complex cell envelopes, the correct functioning of which is vital for the survival of bacteria. We develop and use computational models and methods to explore the biochemistry that gives rise to the molecular organisation within the membranes and periplasm of the cell envelopes. In particular, we incorporate complexity and crowding in order for the models to be as representative of the in vivo scenario as possible, such that we are doing computational microbiology.

We use molecular dynamics and other computational methods to predict the movements of proteins, lipids, sugars and other macromolecules. Our simulations complement, augment and help interpret experimental data. The information we gain helps to better understand the fundamental biochemistry of bacterial cell envelopes and has the potential to inform the future development of novel antibiotics.

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