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Molecular dynamics simulations of protein-surface interactions

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If you have a question about this talk, please contact Duncan Simpson .

For many years quantum mechanical simulations have been providing experimentally verifiable predictions in materials science. Recent advances in computational techniques now allow the accurate modelling of systems containing many thousands of atoms, including biological macromolecules such as proteins. I give an overview of work currently in progress in this area in the Theory of Condensed Matter Group. As an example, I use molecular dynamics to investigate the atomic-scale mechanisms that determine protein adsorption behaviour on implanted silicon surfaces.

This talk is part of the Physics of Medicine Roadshow series.

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