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Abstracts for presentations and posters are available.
Programme| 9.00 - 9.40 | Registration |
| 9.40 - 9.50 | Introductions David Manallack (MGMS) and Steve Maginn (RSC MMG) |
| 9.50 - 10.07 | Analysis of transmembrane protein structure: Implications for the prediction of 3D structural models Tina Eyre - University College London |
| 10.07 - 10.24 | Protein Ligand Database (PLD): Additional understanding of the nature and specificity of protein-ligand complexes Dushy Puvanendrampillai - University of Cambridge |
| 10.24 - 10.41 | Classification of HLA molecules by GRID/GOLPE analysis Pingping Guan - Edward Jenner Institute for Vaccine Research |
| 10.41 - 10.58 | Quantitative structure activity relationships of carbamate, organophosphate pesticides and sweetener molecules Roger Robinson - University of Reading |
| 10.58 - 11.15 | Substrate binding conformation and catalysis in lysozyme Anna Bowman - University of Bristol |
| 11.15 - 11.32 | Tetracycline-magnesium ion complexes: Structural chameleons? Olaf Othersen - Universit� Erlangen-Nrnberg |
| 11.32 - 11.49 | DFT calculations on TtBP- a highly-distorted porphyrin with an unusual resonance Raman spectrum Roma Oakes - Queen's University of Belfast |
| 11.50 - 12.10 | If required - Extraordinary general meeting of the MGMS |
| 11.50 - 1.30 | Lunch/Posters for all, MGMS members to follow after EGM |
| 1.30 - 1.47 | Molecular modelling of lysyl-tRNA synthetase: Simulations meet experiments Salinthip Thipayang - Imperial College London |
| 1.47 - 2.04 | The computational investigation of conformational change Adrian Wiley - University of Southampton |
| 2.04 - 2.21 | Modelling and simulation studies of GlyR-derived channel-forming peptides in membrane related environments Jennifer Johnston - University of Oxford |
| 2.21 - 2.38 | Virtual high-throughput screening incorporating complete receptor flexibility Daniel Warner - University of Nottingham |
| 2.38 - 2.55 | An investigation into the structure and mechanism of non-heme Iron(II) oxygenases Michael Nagle - University of Oxford |
| 2.55 - 3.20 | Coffee break - posters |
| 3.20 - 3.37 | The prioritisation of hydrophobic sitepoints within the binding pocket Matt Kelly - University of Cambridge |
| 3.37 - 3.54 | A structural hierarchy for virtual library screening and as a tool for data analysis Shane Weaver - University of Leeds |
| 3.54 - 4.30 | Have I got QSAR for you, hosted by Steve Maggin |
| 4.30 - 4.40 | Judges deliberations |
| 4.40 - 5.00 | Prizes |
| 5.00 onwards | Networking down the pub [Building to be vacated by 5.15 pm please] |
| Poster 1 | Molecular dynamics simulations of dihydrofolate reductase from Thermotoga Maritima Jiayun Pang - University of Birmingham |
| Poster 2 | Glycine gating of plant NMDA-like receptors David Huggins - University of Oxford |
| Poster 3 | Secondary structure in carbohydrate based peptide mimetics Christopher Baker - University of Oxford |
| Poster 4 | Evaluation of structural similarity based on reduced dimensionality representations of protein structure Biggi Albrecht - University of Oxford |
| Poster 5 | Modelling the structure and mechanism of HIV-1 reverse transcriptase Thanyada Rungrotemongkol - University of Bristol |
| Poster 6 | Active binding site detection by flood docking a library of molecular fragments Tamas Lengyel - University of Leeds |
| Poster 7 | Aromatic hydroxylation by cytochrome P450 enzymes: model calculations of mechanism and substituent effects Christine Bathelt - University of Bristol |
| Poster 8 | Molecular modelling prediction of protein binding site flexibility Ami Yang - University of Cambridge |
| Poster 9 | Exploring protein-nucleic acid interactions at the atomic level Jayshree Patel - University of Sheffield |
| Poster 10 | A rule-based approach for generating phylogenetic relationships between bacteria from the prediction of protein functional classes from sequence Ali Al-Shahib - University of Glasgow |
