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frame  International Workshop 2005 - Rauischholzhausen frame
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frame frame Marburg, 23. Nov. 2017 frame
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frame AG Klebe



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Program

(last update Mar-17-2005)






International Workshop
New Approaches in Drug Design & Discovery

"Divide & Conquer":
Assembling Leads from Fragments -
Disassembling Protein Complexes


View or download the complete conference book: PDF.

Monday, March 21, 2005

14:30Opening and Introduction (G. Klebe)
14:45 Alexander Alex, Pfizer, Sandwich, UK
What can we learn from active compounds to enhance the hit-to-lead process?
(View or download abstract: PDF)
15:30 Jordi Mestres, IMIM, University Pompeu Fabra, Barcelona, Spain
Towards integrating chemical and biological spaces
(View or download abstract: PDF)
16:15 Coffee break
16:45 Didier Rognan, CNRS UMR, Illkirch, France
Virtual screening of target libraries: A new chemogenomic tool
(View or download abstract: PDF)
17:30 Nils Weskamp, Univ. of Marburg, Germany
Cavbase: A tool for large-scale analysis of protein binding pockets and their occupants
(View or download abstract: PDF)
(View or download presentation [37 MB]: PDF)
19:00Dinner
20:00 Poster session with Beer & Brezeln

Tuesday, March 22, 2005

9:00 Gerhard Müller, GPC Biotech AG, Munich, Germany
Small-molecule kinase inhibitors: facts or fantasy
(View or download abstract: PDF)
9:45 Claudiu Supuran, Univ. of Florence, Italy
The target family of the carbonic anhydrases: similarities and differences
(View or download abstract: PDF)
10:30 Coffee break
11:00 Daan van Aalten, Univ. of Dundee, UK
Chitinases: From mM fragment to nM inhibitor
(View or download abstract: PDF)
11:45 Oliver Kohlbacher, Univ. of Tübingen, Germany
High-accuracy prediction of protein-carbohydrate binding affinities
(View or download abstract: PDF)
13:00 Lunch
15:00 Bruce Turnbull, Univ. of Leeds, UK
Dissecting binding contributions in protein-carbohydrate interactions
(View or download abstract: PDF)
15:45 Holger Gohlke, Univ. of Frankfurt, Germany
Analysing flexibility and modelling plasticity of macromolecules
(View or download abstract: PDF)
16:30 Coffee break
17:00 Mike Thorpe, Arizona State University, Tempe, USA
Generating flexible protein conformers for docking
(View or download abstract: PDF)
17:45 Marcel Verdonk, Astex, Cambridge, UK
Fragment-based lead discovery
(View or download abstract: PDF)
19:00 Dinner
20:00 Concert

Wednesday, March 23, 2005

9:00 Rod Hubbard, Vernalis, Cambridge, UK
Experiences in fragment-based drug discovery
(View or download abstract: PDF)
9:45 Wolfgang Jahnke, Novartis, Basel, Switzerland
Integration of NMR, X-ray, and molecular modelling for the discovery of lead compounds by fragment-based screening
(View or download abstract: PDF)
10:30 Coffee break
11:00 Annick Dejageere, Univ. of Strasbourg, France
Computational fragment-based approach for lead finding
(View or download abstract: PDF)
11:45 Matthias Rarey, Univ. Hamburg, Germany
Useful tools and algorithms for fragment-based drug discovery
(View or download abstract: PDF)
13:00 Lunch
15:00 Stefan Petry, Sanofi Aventis, Frankfurt, Germany
The Discovery of a New Class of Cell Permeable Phosphotyrosine Mimetics: Design, Biological- and Structural Evaluation
(View or download abstract: PDF)
15:45 Ansgar Schuffenhauer, Novartis, Basel, Switzerland
Library design for fragment-based lead discovery
(View or download abstract: PDF)
(View or download presentation: PDF)
16:30 Coffee break
17:00 Rutger Folmer, AstraZeneca, Mölndal, Sweden
Lead generation through fragment-based screening by NMR
(View or download abstract: PDF)
17:45 Alfred Wittinghofer, MPI Dortmund, Germany
Inhibiting versus stabilizing protein-protein interactions
(View or download abstract: PDF)
19:00 Dinner
20:30 Round-table discussion

Thursday, March 24, 2005

9:00 Andrew Hamilton, Yale University, New Haven, USA
Synthetic approaches to disrupting protein-protein interactions
(View or download abstract: PDF)
9:45 Tanja Kortemme, Univ. of California, San Francisco, USA
Prediction and Design of Protein-Protein Interactions
(View or download abstract: PDF)
10:30Coffee break
11:00 Torsten Oost, Abbott, Ludwigshafen, Germany
Discovery of potent antagonists of the anti-apoptotic protein XIAP for the treatment of cancer
(View or download abstract: PDF)
11:45 Brad Graves, Roche, Nutley, USA
Activation of the p53 pathway by small-molecule antagonists of MDM2
(View or download abstract: PDF)
13:00 Lunch
14:00 End of Workshop




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