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SELECTBIO Conferences Structural & Computational Chemistry

Jonathan Essex's Biography

Jonathan Essex, Head, University of Southampton

Jonathan Essex (JWE) is Head of the Computational Systems Chemistry group at the University of Southampton, and Chairman of the Institute of Complex Systems Simulation (ICSS). He obtained a First Class Honours degree in Chemistry from the University of Oxford in 1989, and his D.Phil. from the same institution in 1992 (as a Glaxo Research Scholar). From 1992-1994 he was an EPSRC/NATO Postdoctoral Fellow in the group of Prof WL Jorgensen at Yale University. He returned to the UK in 1994 as a Royal Society University Research Fellow in the School of Chemistry, University of Southampton. His research expertise lies in the application and development of novel computer simulation methodology as applied to problems of biological significance. His research may be broadly divided into three main areas: protein-ligand interactions; coarse-grain (CG) and multiscale modelling, and e-science and bioinformatics. In 2002 he was awarded the Marlow Medal by the Royal Society of Chemistry.

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Rigorous Free Energy Calculations in Drug Discovery: Applications and Pitfalls

Tuesday, 13 March 2012 at 11:45

Add to Calendar ▼2012-03-13 11:45:002012-03-13 12:45:00Europe/LondonRigorous Free Energy Calculations in Drug Discovery: Applications and

In this presentation, the use of rigorous free energy calculations in the drug discovery context will be described. Particular emphasis will be placed on addressing the applicability of these methods to lead identification and optimisation, and the consequences of the approximations made in affecting their accuracy.

Add to Calendar ▼2012-03-13 00:00:002012-03-14 00:00:00Europe/LondonStructural and Computational