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frame  International Workshop 2003 - Rauischholzhausen frame
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frame frame Marburg, 23. Nov. 2017 frame
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Posters

(last update Mar-15-2003)






International Workshop
New Approaches in Drug Design & Discovery

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


Valerio Berdini, Mike Hartshorn, Marcel Verdonk and Paul Watson; Astex Technology Ltd., UK
Virtual Screening as a tool to identify new leads for CDK2
(View or download abstract: PDF)
Andreas Bergner, Barbara Wegscheid, Jason Cole and Willem Nissink; CCDC, UK
Analysing Crystallographic Packing Effects with Relibase+
(View or download abstract: PDF)
Maria B. Brandl, John P. Overington and A. W. Edith Chan; Inpharmatica Ltd., UK
Consensus Pharmacophore Models for Gene Family Analyses
(View or download abstract: PDF)
Sabine Gebauer, Ilka Knütter, Matthias Brandsch, Klaus Neubert, Iris Thondorf; Martin-Luther-University Halle-Wittenberg, Germany
3D-QSAR of Peptide Substrates of the Mammalian Peptide Transporter PepT1
(View or download abstract: PDF)
Glen E. Kellogg, Samantha Perspicace and Salvatore Guccione; Virginia Commonwealth University, USA; Universit degli Studi di Catania, Italy
Carbohydrate-Ligand Complex Binding: Empirical free energy modeling
(View or download abstract: PDF)
Andreas Kämper and Thomas Lengauer; MPI for Informatics, Germany
Virtual Screening for novel Urease Inhibitors
(View or download abstract: PDF)
Günther Peters, Thomas M. Frimurer, Lars F. Iversen, Henrik S. Andersen, Niels Peter H. Moller and Ole H. Olsen; Technical University Denmark; Novo Nordisk, Denmark
Prediction of the binding mode and binding energy for small molecules and peptides
(View or download abstract: PDF)
Antti Poso, Toni Ronkko and Anu Tervo; University of Kuopio, Finland
Molecular fields in database mining
(View or download abstract: PDF)
Jens Sadowski; AstraZeneca, Sweden
Neural Networks as Post-Docking Filters
(View or download abstract: PDF)
B. Schlegel, W. Sippl, H. Stark and H.-D. Höltje; Heinrich-Heine-Universität Düsseldorf; Johann Wolfgang Goethe-Universität, Germany
Molecular Dynamics and Docking Simulations of Histamine H3 Receptor / Ligand Complexes
(View or download abstract: PDF)
Lothar Terfloth, Angelika Hofmann and Johann Gasteiger; Universität Erlangen, Germany
Investigation of the Metabolism of Xenobiotics by Cytochrome P450 with Neural Networks and Genetic Algorithms
(View or download abstract: PDF)
Jörg K. Wegner and Andreas Zell; Universität Tübingen
Building QSAR models using shannon entropy and a genetic algorithm
(View or download abstract: PDF)




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