Young Modellers Forum Programme

MGMS Young Modellers' Forum

Date: Friday, November 26th 1999
Location: Scientific Societies Lecture Theatre, New Burlington Place, Off Savile Row, London W1X 1AB

Programme

09:30-09:55		Arrival, Registration, Coffee
09:55-10:00		Introduction
10:00-10:20	Andy Jennings (SmithKline Beecham)	An approach to improve multiple alignments of protein sequences using predicted secondary structure
10:20-10:40	Arne Müller (ICRF)	Benchmarking PSI-BLAST in genome annotation
10:40-11:00	Mark Dean (University of Essex)	Dimerisation: a general feature of G-protein coupled receptors?
11:00-11:20	James Smith (University of Cambridge)	Molecular discrimination between homologous binding sites
11:20-11:40	James Lumley (University of Reading)	Intermolecular interactions on ligand binding
11:40-12:00	Caroline Hadley (University of Warwick)	Development of functional threading templates for improved protein fold recognition

LUNCH

13:00-13:20 Richard Maurer (University of Essex) Poisson-Boltzmann studies on the mechanism of nitrite reductase

13:20-13:40 Eoin Galligan (University of Nottingham) Modelling the loading rate dependence of ligand interaction forces

13:40-14:00 Paul van Hooft (Heinrich-Heine Universität Düsseldorf) Construction of a full 3D model of the transpeptidase domain of S. pneumoniae PBP2x

14:00-14:20 Stephen Phillips (University of Southampton) Digitally filtered molecular dynamics: the frequency specific control of molecular dynamics simulations

14.20-14.40 Matthias Hennemann (Friedrich-Alexander Universität Erlangen-Nürnberg) HOBO: an alignment free 3D QSAR method

COFFEE BREAK

15:10-15:30
I. Wall
(University of Southampton)
A linear interaction energy study of a series of neuraminidase inhibitors

15:30-15:50 J. Roberts
(Liverpool John Moores University) QSAR in the prediction of DNA damaging capacity of a group of congeneric 1,4-naphthoquinones

15:50-16:00 Judges deliberations

16:00-16:15 Presentation of award

16:30 Close, advice session to speakers from judging panel

PUB, SHOPPING, FOLLOWED BY CURRY

13:00-13:20	Richard Maurer (University of Essex)	Poisson-Boltzmann studies on the mechanism of nitrite reductase
13:20-13:40	Eoin Galligan (University of Nottingham)	Modelling the loading rate dependence of ligand interaction forces
13:40-14:00	Paul van Hooft (Heinrich-Heine Universität Düsseldorf)	Construction of a full 3D model of the transpeptidase domain of S. pneumoniae PBP2x
14:00-14:20	Stephen Phillips (University of Southampton)	Digitally filtered molecular dynamics: the frequency specific control of molecular dynamics simulations
14.20-14.40	Matthias Hennemann (Friedrich-Alexander Universität Erlangen-Nürnberg)	HOBO: an alignment free 3D QSAR method

15:10-15:30	I. Wall (University of Southampton)	A linear interaction energy study of a series of neuraminidase inhibitors
15:30-15:50	J. Roberts (Liverpool John Moores University)	QSAR in the prediction of DNA damaging capacity of a group of congeneric 1,4-naphthoquinones
15:50-16:00		Judges deliberations
16:00-16:15		Presentation of award
16:30		Close, advice session to speakers from judging panel