Past Events

This CCP-BioSim 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 (http://www.protoms.org) will be used.

Workshop Material

The workshop material can be found here

Instructors

Julien Michel (Edinburgh), Christopher Woods (Bristol), Michael Bodnarchuk (Southampton), Samuel Genheden (Southampton)

Reference

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 http://dx.doi.org/10.1007/s10822-010-9363-3

Venue

School of Chemistry, University of Southampton

Registration

Register at https://eventbooking.stfc.ac.uk/news-events/free-energy-methods-for-modelling-of-protein-ligand-interactions
Space available: 35 delegates
Fee Info: Registration is free for this event. Lunch will be provided.
Accommodation not available.
For further information contact Meeting Administrator (This email address is being protected from spambots. You need JavaScript enabled to view it. ; This email address is being protected from spambots. You need JavaScript enabled to view it.)