Past Events

This CCPBioSim training workshop will introduce non-specialists to the use of combined quantum mechanics/molecular mechanics (QM/MM) methods for modelling enzyme-catalysed reaction mechanisms. It is aimed at postgraduate students and early-stage career researchers. The CHARMM program will be used.

Workshop Material

The tutorial pages can be found here

References:

1. A practical guide to modelling enzyme-catalysed reactions, Lonsdale R, Harvey JN, Mulholland AJ, Chem. Soc. Rev. (2012), vol. 41, pp. 3025-3038 http://dx.doi.org/10.1039/C2CS15297E

The day will start at 10:00am with registration and coffee. The workshop will commence at 10:30am and close at 4:30pm.