Essex Research Group

Computational Simulation of Biomolecular Systems

About us

We are a computational chemistry research group based at the University of Southampton working under the supervision of Prof. Jonathan Essex.

Our research revolves around the application of the theoretical techniques of statistical thermodynamics and quantum mechanics to the study of organic and biomolecular systems.

Our aim is to rationalise and intepret experimentally observed behaviour at the molecular level, and suggest further lines of experimental inquiry. This work is of direct relevance to rational drug-design and we collaborate extensively with the pharamceutical industry.

Our research

The research in the group can be split into the following main categories:

Enhanced Sampling Methods

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Free Energy Calculations

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Membranes and Lipids

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Application to Biochemistry

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Recent work

Some recent publications and software releases from the group. A full list of publications and software packages are also available.