If you have an interest in working in the group, please get in touch by emailing Prof. Jonathan Essex at J.W.Essex@soton.ac.uk.
Any vacancies will be listed here once they become available.
The aim of this project is to develop and apply the Sequential Monte Carlo (SMC) method in the context of biomolecular simulations. There is a long-standing interest in molecular simulation to develop enhanced sampling algorithms to address the known limitations of conventional molecular dynamics. SMC has been used in a number of fields, but has received little attention in biomolecular simulation. In this project, you will develop and apply the molecular-SMC approach to two main classes of problem in biomolecular modelling – to protein-ligand docking, and to binding free energy calculations.
Small angle X-ray scattering (SAXS) provides structural information in the solution phase at room temperature, but is limited in terms of resolution. In this multidisciplinary project, you will work in close collaboration with scientists at the Diamond Light Source (DLS) to develop theoretical methods and software to combine atomistic molecular simulations with SAXS data, to extend the structural information from SAXS experiments to higher resolutions.
The Antibody and Vaccine Group based in the newly opened Centre for Cancer Immunology in Southampton alongside colleagues at the Institute for Life Sciences in Macromolecular Crystallography and Computer simulation of Biomolecular Systems Group, are seeking to employ a Postdoctoral Research Fellow to help develop next generation antibody therapeutics.