Frontiers of Biomolecular Simulation Seminar
- Time:
- 13:00 - 17:30
- Date:
- 24 September 2014
- Venue:
- Building 27, Room 2003 Chemistry University of Southampton SO17 1BJ
For more information regarding this seminar, please email Syma Khalid at S.Khalid@soton.ac.uk .
Event details
The Computational Systems Chemistry research group presents a half day symposium.
Schedule:
13.00 Welcome
13.05 Prof Jon Essex (Southampton) The computational modelling of protein-ligand structure, affinity & kinetics
13.50 Dr Carlo Camilloni (Cambridge) Enhancing simulations using NMR data
14.20 Prof Bert de Groot (MPI, Groningen) The molecular dynamics of permeation, inhibition & recognition
15.05 Tea break
15.25 Prof Charlie Laughton (Nottingham) Ensemble simulation strategies for the detection & validation of ligand-induced conformational change
16.10 Dr Phillip Stansfeld (Oxford) MemProtMD: Biomolecular simulations of integral membrane proteins
16.40 Prof Adrian Mulholland (Bristol) Enzyme mechanism, specificity & dynamics: insights into biological catalysts from modelling
17.30. Drinks reception
All are very welcome.