30 June 2006 – CHB.3.31
10h30 | ISIDA Reac. Frank Hoonakker (Université Louis Pasteur, Strassbourg) |
10h50 | Quest for the Rings – In Silico Exploration of Ring Universe to Identify Novel Bioactive Heteroaromatic Scaffolds. Peter Ertl (Novartis, Basel) |
11h10 | The Chemical Universe of Small Molecules: Generation, Analysis, Application. Tobias Fink (University of Berne) |
11h30 | Virtual screening of the small-molecule chemical universe database for NMDA receptor ligands. Kong Thong Nguyen (University of Berne) |
12h00-14h00 | Lunch |
14h00 | Scientific Grid Computing Infrastructure. Christian Rufener (Actelion, Basel) |
14h15 | 3D-Pharmacophores for ligand based screening. Modest vonKorff (Actelion, Basel) |
14h35 | A docking tool in practice. Joel Freyss (Actelion, Basel) |
14h50 | Binary SOMs for Compound Clustering. Thomas Sander (Actelion, Basel) |
15h10 | Coffee break |
15h40 | Assay Designer. Damiano Banfi (EPFL, Lausanne) |
16h00 | www.nmrdb.org – Tools for NMR spectra. Luc Patiny (EPFL, Lausanne) |
16h20-17h00 | Round table about the chemical information and shared interests of the attendees. |
Aperitif and dinner |