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Program(last update Mar-17-2005)
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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.
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Monday, March 21, 2005 |
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| 14:30 | Opening and Introduction (G. Klebe) |
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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)
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15:30 |
Jordi Mestres, IMIM, University Pompeu Fabra, Barcelona, Spain
Towards integrating chemical and biological spaces
(View or download abstract: PDF)
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16:15 |
Coffee break |
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16:45 |
Didier Rognan, CNRS UMR, Illkirch, France
Virtual screening of target libraries: A new chemogenomic tool
(View or download abstract: PDF)
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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)
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| 19:00 | Dinner |
| 20:00 |
Poster session with Beer & Brezeln
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Tuesday, March 22, 2005 |
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9:00 |
Gerhard Müller, GPC Biotech AG, Munich, Germany
Small-molecule kinase inhibitors: facts or fantasy
(View or download abstract: PDF)
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9:45 |
Claudiu Supuran, Univ. of Florence, Italy
The target family of the carbonic anhydrases: similarities and differences
(View or download abstract: PDF)
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10:30 |
Coffee break |
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11:00 |
Daan van Aalten, Univ. of Dundee, UK
Chitinases: From mM fragment to nM inhibitor
(View or download abstract: PDF)
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11:45 |
Oliver Kohlbacher, Univ. of Tübingen, Germany
High-accuracy prediction of protein-carbohydrate binding affinities
(View or download abstract: PDF)
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13:00 |
Lunch |
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15:00 |
Bruce Turnbull, Univ. of Leeds, UK
Dissecting binding contributions in protein-carbohydrate interactions
(View or download abstract: PDF)
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15:45 |
Holger Gohlke, Univ. of Frankfurt, Germany
Analysing flexibility and modelling plasticity of macromolecules
(View or download abstract: PDF)
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16:30 |
Coffee break |
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17:00 |
Mike Thorpe, Arizona State University, Tempe, USA
Generating flexible protein conformers for docking
(View or download abstract: PDF)
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17:45 |
Marcel Verdonk, Astex, Cambridge, UK
Fragment-based lead discovery
(View or download abstract: PDF)
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19:00 |
Dinner |
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20:00 |
Concert |
Wednesday, March 23, 2005 |
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9:00 |
Rod Hubbard, Vernalis, Cambridge, UK
Experiences in fragment-based drug discovery
(View or download abstract: PDF)
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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)
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10:30 |
Coffee break |
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11:00 |
Annick Dejageere, Univ. of Strasbourg, France
Computational fragment-based approach for lead finding
(View or download abstract: PDF)
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11:45 |
Matthias Rarey, Univ. Hamburg, Germany
Useful tools and algorithms for fragment-based drug discovery
(View or download abstract: PDF)
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13:00 |
Lunch |
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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)
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15:45 |
Ansgar Schuffenhauer, Novartis, Basel, Switzerland
Library design for fragment-based lead discovery
(View or download abstract: PDF)
(View or download presentation: PDF)
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16:30 |
Coffee break |
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17:00 |
Rutger Folmer, AstraZeneca, Mölndal, Sweden
Lead generation through fragment-based screening by NMR
(View or download abstract: PDF)
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17:45 |
Alfred Wittinghofer, MPI Dortmund, Germany
Inhibiting versus stabilizing protein-protein interactions
(View or download abstract: PDF)
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19:00 |
Dinner |
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20:30 |
Round-table discussion |
Thursday, March 24, 2005 |
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9:00 |
Andrew Hamilton, Yale University, New Haven, USA
Synthetic approaches to disrupting protein-protein interactions
(View or download abstract: PDF)
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9:45 |
Tanja Kortemme, Univ. of California, San Francisco, USA
Prediction and Design of Protein-Protein Interactions
(View or download abstract: PDF)
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10:30 | Coffee break |
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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)
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11:45 |
Brad Graves, Roche, Nutley, USA
Activation of the p53 pathway by small-molecule antagonists of MDM2
(View or download abstract: PDF)
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13:00 |
Lunch |
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14:00 |
End of Workshop |
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