Oct 11, 2012
CCPBioSim workshop: Free energy methods for modelling of protein-ligand interactions
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.
Reference
"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
For additional details please see
http://ccpbiosim.chm.bris.ac.uk/?q=workshops/1stFreeEnergy