Molecular Informatics: Confronting Complexity
May 13th - 16th, 2002, Bozen, Italy.
Program
Martin G. Hicks: Opening Remarks and Greetings
Session Chair: Hugo Kubinyi
Carsten Kettner: Studies on Yeast Membrane Transporters – How Can Computational Biology Help?
Chris Dobson: Protein Folding, Evolution and Disease
Richard Goldstein: Evolutionary Perspectives on Protein Folding, Structure and Thermodynamics
Cornelius Frömmel: Bioinformatic´s View on Molecular Mimicry
Session Chair: Holger Wallmeier
Graham Richards: Pattern Recognition and Distributed Computing in Drug Design
A. Peter Johnson: Generating Synthetically Accessible Ligands by De Novo Design
Christopher Lipinski: Physicochemical Properties and the Discovery of Orally Active Drugs: Technical and People Issues
Luc De Raedt: Molecular Feature Mining in Predictive Toxicology
Session Chair: Günther Metz
Athel Cornish-Bowden: Metabolic Analysis as a Tool in Drug Design
Shoshana Wodak: Representing and Analysing Information on Networks of Cellular Function
Jörg Hoheisel: Functional Genome Analysis
Friedhelm Pfeiffer: Halolex: a Lighthouse in the Flood of Information
Session Chair: John Bradshaw
William Jorgensen: Computer-Aided Design and Screening of Combinatorial Drug Libraries
Hans-Joachim Böhm: New Approaches to In-Silico Screening
Brian Shoichet: Hits, Leads, and Artefacts from Molecular Docking and Other Screens
Harren Jhoti: High Throughput X-ray Crystallography for Drug Discovery
Session Chair: Christoph Steinbeck
Gerald Maggiora: Computer-Assisted Decision Making in Pharmaceutical Research
Karl-Heinz Baringhaus: Knowledge Based Lead Finding by Matching Chemical and Biological Space
Carleton Sage: Providing Cheminformatics Solutions to Medicinal Chemists to Support Drug Discovery Decisions
Timothy Clark: Does Quantum Chemistry Have a Place in Cheminformatics?
Gisbert Schneider: Summary
