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The University of Southampton

Frontiers of Biomolecular Simulation Seminar

13:00 - 17:30
24 September 2014
Building 27, Room 2003 Chemistry University of Southampton SO17 1BJ

For more information regarding this seminar, please email Syma Khalid at .

Event details

The Computational Systems Chemistry research group presents a half day symposium.


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.

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