Program
Monday 25 June
| 14:00-18:00 | Registration - Doctoral College main hall | ||
| 15:00-18:00 | Pre-conference "software session" | ||
| 18:00-18:10 | Opening | ||
| 18:10-19:10 | Peter Willett (Sheffield) - Opening lecture | Chemoinformatics : the first half-century | |
| 19:15-21:00 | Welcome Party | ||
Tuesday 26 June - session 1
| 09:00-09:40 | Jurgen Bajorath (Univ. Bonn, Germany) | Chemoinformatics Meets Medicinal Chemistry : Designing and Navigating Activity Landscapes | |
| 09:40-10:20 | Sorel Muresan (Astra Zeneca, Sweden) | Patent cheminformatics : Identification of key compounds in patents | |
| 10:20-10:40 | Coffee Break | ||
| 10:40-11:20 | Peter Ertl (Novartis, Basel, Switzerland) | Navigation in Chemistry Space towards Biological Activity | |
| 11:20-12:00 | Val Gillet (Univ. Sheffield, UK) | In-silico approaches to toxicity prediction | |
| 12:00-14:00 | Lunch | ||
| 14:00-16:00 | Tutorials | ||
| 16:30-19:00 | Poster session | ||
Wednesday 27 June - session 2
| 09:00-09:40 | David Ritchie (Univ. Nancy, France) | Protein docking and virtual screening using polar Fourier correlations | |
| 09:40-10:20 | Christoph Sotriffer (Univ. Wuerzburg, Germany) | Scoring functions for protein-ligand docking : new routes towards old goals | |
| 10:20-10:40 | Coffee Break | ||
| 10:40-11:20 | Hanoch Senderowitz (Bar-Ilan Univ., Israel) | Focusing Conformational Ensembles on Bioactive-Like Conformers | |
| 11:20-12:00 | Gerhard Wolber (Free Univ. Berlin, Germany) | Accuracy matters : A closer look at 3D pharmacophore perception and virtual screening | |
| 12:00-14:00 | Lunch | ||
| 14:00-16:00 | Tutorials | ||
| 16:00-16:30 | Coffee Break | ||
| 16:30-18:00 | Tutorials | ||
Thursday 28 June - session 3
| 09:00-09:40 | Robert Glen (Univ. Cambridge, UK) | Designing, synthesising and testing peptide probes of receptor function : Investigating the Apelin GPCR | pptx |
| 09:40-10:20 | Thierry Langer (Prestwick Chemical, Strasbourg, France) | Chemoinformatics-Supported Medicinal Chemistry : Expectations, Pitfalls, and Success Stories | |
| 10:20-10:40 | Coffee Break | ||
| 10:40-11:20 | Gisbert Schneider (ETH, Zurich, Switzerland) | Designing molecules ’de novo’ | |
| 11:20-12:00 | Artem Cherkasov (Univ. British Columbia, Vancouver, Canada) | Cheminformatics-driven identification of inhibitors for protein-protein interactions | |
| 12:00-14:00 | Lunch | ||
| 14:00-16:00 | Tutorials : Briefing in the conference hall | ||
| 16:30-19:00 | Cultural Program | ||
| 19:00 | Conference dinner at "Ancienne Douane" | ||
Friday 29 June - session 4
| 09:00-09:40 | Xavier Morelli (CNRS Marseille, France) | An Example of Challenging Chemical Space : Protein-Protein Interfaces | |
| 09:40-10:20 | Alex Tropsha (Univ. North Carolina, Chapel-Hill, USA) | Experiment-Assisted Computational Drug Discovery using Cheminformatics Approaches | |
| 10:20-10:40 | Coffee Break | ||
| 10:40-11:20 | Olivier Taboureau (Technical University of Denmark, Denmark) | From Chemical to Systems Biology : How Chemoinformatics can contribute ? | |
| 11:20-12:00 | Wendy Warr (Wendy Warr & Associates, UK ) | Adapt and Survive : the Changing Face of R&D in the Pharmaceutical Industry and its Impact on Cheminformatics | |
| Closing | |||