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Program

(last update Mar-14-2003)






International Workshop
New Approaches in Drug Design & Discovery

From High-Throughput to High-Output:
Can '-Omics' Assist Computational Drug Design?



View or download the complete conference book: PDF

Monday, March 24, 2003

14:30Opening and Introduction (G. Klebe)
14:45 Tom Blundell, Univ. of Cambridge, UK
High-throughput crystallography for lead discovery: successes and challenges
(View or download abstract: PDF)
15:30 Hanno Langen, Roche, Basel
Proteomics current capabilities and developments
(View or download abstract: PDF)
16:15 Coffee break
16:45 Aled Edwards, Univ. of Toronto
Structural and functional proteomics
(View or download abstract: PDF)
17:30 Udo Heinemann, MDC-Berlin
Structural genomics and protein structure factories: Role in drug design?
(View or download abstract: PDF)
18:15 Milton Stubbs, Univ. of Halle
Understanding protein - ligand interactions: pH, plasticity and polymorphism
(View or download abstract: PDF)
19:30Dinner

Tuesday, March 25, 2003

9:00 Christine Orengo, Univ. College London
Structural genomics: Targeting new structures to reveal protein functions
(View or download abstract: PDF)
9:45 Ralf Zimmer, Univ. of Munich
Target Finding and Target Validation via High Throughput Expression Data and Biochemical Network Contexts
(View or download abstract: PDF)
10:30 Coffee break
11:00 Marc Marti-Renom, UCSF, San Francisco
Comparative protein structure modelling of genes and genomes
(View or download abstract: PDF)
11:45 Andrew Hopkins, Pfizer
Winning before the battle is fought: a priori target druggability assessment
(View or download abstract: PDF)
13:00 Lunch
15:00 Andrew Leach, GSK
Challenges of High throughput Lead discovery and optimisation
(View or download abstract: PDF)
15:15 Patrick Connelly, Synchrony Biosciences
Calorimetric Substrate Profiling: A Systematic Method to Determine the Molecular Functions of Proteins
(View or download abstract: PDF)
16:00 Coffee break
16:30 Bernd Meyer, Univ. of Hamburg
STD-NMR to Screen Libraries and to Characterize Binding of Ligands to Receptors
(View or download abstract: PDF)
17:15 Günther Metz, Heidelberg, Graffinity
Small Molecule Drug discovery of Chemical Microarrays
(View or download abstract: PDF)
18:00 Paul Labute, Chemical Computing Group Inc.
Computational Techniques for High Throughput Design
(View or download abstract: PDF)
19:00 Dinner
20:30 Concert

Wednesday, March 26, 2003

9:00 Daniel Vitt, 4SC-AG
High Throughput Docking, A Case Study
(View or download abstract: PDF)
9:45 Harald Mauser, Roche, Basel
Practical use of automated de novo Design
(View or download abstract: PDF)
10:30 Coffee break
11:00 Karl-Heinz Baringhaus, Aventis
Efficient Lead Finding Strategies of Ion Channel Inhibitors
(View or download abstract: PDF)
11:45 Eugene Shakhnovich, Harvard Univ., Cambridge
From knowledge-based potentials to combinatorial drug design
(View or download abstract: PDF)
13:00 Lunch
15:00 Ernesto Freire, Johns Hopkins Univ.
Extremely High Affinity Requires Enthalpic and Entropic Optimization of Drug Candidates
(View or download abstract: PDF)
15:45 Alexey Eliseev, Theascope, Heidelberg
Dynamic Combinatorial Chemistry
(View or download abstract: PDF)
16:30 Coffee break
17:00 Pascal Furet, Novartis
Structure-Based Approaches to the Discovery of Protein Kinase Inhibitors in the "-Omics" Era
(View or download abstract: PDF)
17:45 Lutz Weber, Morphochem
Autophore - a new method for 3D diversity assessment and compounds design
(View or download abstract: PDF)
18:30 Gisbert Schneider, Univ. of Frankfurt
Ligand-based library design for active molecules
(View or download abstract: PDF)
19:30 Dinner
21:00 Round-table discussion
(H.-J. Böhm)

Thursday, March 27, 2003

9:00 Nicholas Westwood, Univ. of St Andrews
The preparation of targeted libraries in an Academic environment
(View or download abstract: PDF)
9:45 Hans Matter, Aventis, Frankfurt
Computer-assisted approaches to understand affinity, selectivity and bioavailability for protease and kinase inhibitors
(View or download abstract: PDF)
10:30Coffee break
11:00 Ansgar Schuffenhauer, Novartis
Exploiting target homology for ligand based lead discovery
(View or download abstract: PDF)
11:45 Herbert Waldmann, Max-Planck-Institut, Dortmund
From protein domains to drug candidates: Natural product guided compound library development
(View or download abstract: PDF)
13:00 Lunch
14:00 End of Workshop




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