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| themes | organisers | registration | abstracts | fees | bursaries | schedule | travel | sponsors |
| Wednesday 13th | ||
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18.00 - 20.00 |
Registration
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| 18.00 onwards |
Drinks Reception & Poster Session
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| Thursday 14th | ||
| 08.30 - 09.15 |
Late Registration
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| 09.15 - 09.30 | Introductory Remarks by organisers | |
| Session 1 | ||
| 09.30 - 10.15 | Peter Goodford (Oxford) |
The Role of Water in Structure-based Drug Design |
| 10.15 - 11.00 | Hans-Joachim Boehm (Basel) |
Structure-based library design: molecular modelling merges with combinatorial chemistry |
| 11:00 - 11.30 |
Coffee
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| Session 2 | ||
| 11.30 - 12.15 | Dave Stammers (Oxford) | Design of inhibitors of drug resistant forms of HIV-1 reverse transcriptase |
| 12.15 - 13.00 | Jenny Martin (Queensland) | Macrocyclic HIV-1 protease inhibitors |
| 13.00 - 14.00 |
Lunch
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| Session 3 | ||
| 14.00 - 14.45 | Gerhard Klebe (Marburg) | From Crystal Structures to Novel Leads: New Approaches in Structure-based Drug Design |
| 14.45 - 15.30 | Yvonne Martin (Illinois) | Can we really predict biological activity in ligands? |
| 15.30 - 16.00 |
Tea
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| 16.00 - 16.15 | Richard Jackson (London) | Q-FIT: A Hierachical Method for Docking Molecular Fragments by Sampling Low Energy Conformational Space |
| 16.15 - 16.30 | Rebecca Wade (Heidelberg) | COMBINE and PIPSA: Two approaches for using the 3D structures of proteins to derive QSARs |
| 16:30-17:15 | Gabriele Cruciani (Perugia) | Molecular Interaction Fields in Structure-ADME Relationships |
| 17:15-19:00 | Poster session | |
| 19:00-22:00 | Banquet
+ after-dinner talks by Graham Richards (Oxford) and Dick Hyde
(Chatham) (Oxford) (at ca. 21:00) |
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| Friday 15th | ||
| Session 4 | ||
| 09.00-09.45 | Rod Hubbard (York) |
Combined experimental and theoretical approaches to probing protein-ligand interactions |
| 09.45-10.30 | Jon Moore (Boston) |
The SHAPES Strategy: Integration of NMR Screening Methods in Drug Discovery |
| 10.30-11.00 |
Coffee
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| Session 5 | ||
| 11.00-11.45 | Carol Robinson(Oxford) | Mass spectrometry approaches to study protein ligand interactions |
| 11.45-12.00 | Kim Watson (Oxford) | Application and implementation of GRID to a machine learning method: In search of blockers and activators of the potassium ATP sensitive channel in pancreatic beta-cells |
| 12.00-12.15 | Federico Gago (Madrid) | A Zinc Finger-induced DNA Bend is a Likely Target for Antitumour Ecteinascidin ET473 |
| 12:15-13:00 | Dave Stuart (Oxford) |
Viral RNA dependent polymerases: from one component engines to capsids as transcription complexes |
| 13:00-14:00 |
Lunch
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| 14:00-15:15 | Poster session | |
| 15:15-15:45 |
Tea
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| Session 6 | ||
| 15:45-16:30 | Andrew Martin (Reading) | Bioinformatics and Protein Modelling - Possible Routes to Drug Discovery |
| 16:30-16:45 | Nathalie Geneste(Aberystwyth) | A New Approach to Pharmacophoric Mapping and QSAR Analysis using Inductive Logic Programming |
| 16:45-17:00 | Chris Reynolds (Essex) | Sequence studies on the activation of G-protein coupled receptors |
| 17:00-17:45 | Philip Dean (Cambridge) | Structure-based drug design in the post-genomic future |
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17:45-18:00 |
Closing Remarks
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| themes | organisers | registration | abstracts | fees | bursaries | schedule | travel | sponsors |
