Past Events

CCPBioSim Training Week - QM/MM methods
Friday 12 September 2014

Workshop Material

The workshop material can be found here


2.11 Merchant Venturers Building, Department of Electrical and Electronic Engineering, Woodland Road, Bristol BS8 1UB. Travel directions are at


Marc van der Kamp

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.


  1. Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology. Van der Kamp MW, Mulholland AJ. Biochemistry (2013) 52 (16), pp. 2708–2728
  2. A practical guide to modelling enzyme-catalysed reactions. Lonsdale R, Harvey JN, Mulholland AJ. Chem. Soc. Rev. (2012), vol. 41, pp. 3025-3038

The day will start at 10:00am with registration and coffee. The workshop will commence at 10:30am with registration from 10:00am, and close at 4pm. A detailed programme is available.


There is no registration fee for this workshop. However, participants are responsible for their own travel and accommodation costs. Because of room limitations, each course is restricted to 30 participants.

Register here (select this course under Additional Information on the registration page). The deadline for applications has been extended to Monday 1st September. If a course is over-subscribed, we will select candidates based on location and experience, in order to maximise the impact of the course. Applicants will be notified as soon as possible.


These courses are part of a series of four 1-day workshops to be held at Bristol. If delegates wish to stay for several courses, they are responsible for booking their own accommodation. We recommend the following:

Clifton House - 0117 973 5407
Premier Inn - Haymarket Bristol - 0117 910 0600
Victoria Square Hotel - 0117 973 9058
Bristol Royal Mariott - 0117 925 5100