Past Events

Free Energy Methods for Modelling of Protein-Ligand Interactions
Tuesday 25 November 2014

This CCPBioSim training workshop will introduce non-specialists to the use of free energy methods for modelling protein-ligand interactions and computing free energies of binding. It is aimed at postgraduate students and early-stage career researchers. The molecular simulation program ProtoMS ( will be used.

Workshop Material

The workshop material can be found here


Dr Julien Michel (Edinburgh)
Dr Sam Genheden (Southampton)
Dr Richard Bradshaw (Southampton)
Dr Greg Ross (Southampton)
Ana Cabedo Martinez (Southampton)


  1. Prediction of protein-ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations, Michel, J. ; Essex, J. W. J. Comput. Aided Mol. Des., 24 (8), 639 -658 2010


University of Southampton
Highfield Campus, Building 36, Room 2065


Please register on the EventBooking site.
Space available: 24 delegates
Fee Info: Registration is free for this event. Lunch will be provided.
Accommodation not available.
For further information contact Dr Sam Genheden (This email address is being protected from spambots. You need JavaScript enabled to view it.)