Free Energy Methods for Modelling of Protein-Ligand Interactions

2012-11-21 10:00:00 – 2012-11-21 17:00:00
Southampton, UK
Training Workshops

Event Details

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 (martyn.winn@stfc.ac.uk ; julien.michel@ed.ac.uk)