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YMF 2004 - Programme

9.00 - 9.20 Coffee and Registration
9.20 - 9.40 Welcome & Introductions
Stuart Firth-Clark (MGMS) and Steve Maginn (RSC MMG)
9.40 - 10.00 The importance of dynamics in understanding the selectivity of COX inhibitors
Philip Fowler - University College, London
10.00 - 10.20 Less is More - Proteins in 2D
Birgit Albrecht - University of Oxford
10.20 - 10.40 MACiE - The Classification and Computer Representation of Enzyme Reaction Mechanisms
Gemma Holliday - University of Cambridge
10.40 - 11.00 Aromatic hydroxylation by cytochrome p450 enzymes
Christine Bathelt - University of Bristol
11.00 - 11.20 A molecular dynamics study of vibrationally-assisted tunnelling in enzymes
Linus Johannissen - University of Leicester
11.20 - 11.40 Multidrug resistance in bacteria: simulation studies of the AcrAB/TolC system and related proteins
Loredana Vaccaro - University of Oxford
11.40 - 12.00 Distinguishing structural and functional restraints in evolution in order to identify interaction sites
Vijayalakshmi Chelliah - University of Cambridge
12.00 - 13.40 Lunch and Poster Session
13.40 - 14.00 Novel computational methodology for analysing protein ligand/binding sites by use of vicinity analysis
Arthur Mc Gready - University of Portsmouth
14.00 - 14.20 Developing a protein - ligand docking algorithm: Flexligdock
Peter Oledzki - University of Leeds
14.20 - 14.40 Identification of novel anticancer agents with 'forward-reverse' virtual high throughput screening
Andrew Knox - Trinity College, Dublin
14.40 - 15.00 Tea and Posters
15.00 - 15.20 Multiscale Docking Using Evolutionary Optimisation
David Huggins - University of Oxford
15.20 - 15.40 The use of free energy simulations as scoring functions
Julien Michel - University of Southampton
15.40 - 16.00 Generation of multiple pharmacophore hypotheses using a multiobjective genetic algorithm
Simon J. Cottrell - University of Sheffield
16.00 - 16.20 The Weakest Ligand
16.20 - 16.40 Judges Deliberations
16.40 - 17.00 Prizes and Close

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