Joerg Kurt Wegner, PhD
Senior Scientist, TibotecMechelen, Belgium
Research field: Chemistry
proteases, polymerases, drug design, structural biology, structure-based drug design, high throughput screening, fragment based screening, homology modelling, data mining, quantitative structure activity relationship, innovation, collaboration, social sof
Publications
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Book Section (2)
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Maxwell D. Cummings, Éric Arnoult, Christophe Buyck et al. (2011) Preparing and Filtering Compound Databases for Virtual and Experimental Screening. In Virtual Screening: Principles, Challenges, and Practical Guidelines (Methods and Principles in Medicinal Chemistry).
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Nikolas Fechner, Georg Hinselmann, Jörg Kurt Wegner (2010) Molecular Descriptors. In Handbook of Chemoinformatics Algorithms.
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Journal Article (15)
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Eelke van der Horst, Julio E Peironcely, Gerard J P van Westen et al. (2011) Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space.. In Current topics in medicinal chemistry.
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Konrad Hohlfeld, Cyrille Tomassi, Jörg Kurt Wegner et al. (2011) Disubstituted Bis-THF Moieties as New P2 Ligands in Nonpeptidal HIV-1 Protease Inhibitors, 110331084744067. In ACS Medicinal Chemistry Letters.
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Gerard J. P. van Westen, Jörg K. Wegner, Adriaan P. IJzerman et al. (2011) Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets. In MedChemComm.
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Gerard J. P. van Westen, Jörg K. Wegner, Peggy Geluykens et al. (2011) Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development, e27518. In PLoS ONE 6 (11).
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Gerard J P van Westen, Jörg K Wegner, Andreas Bender et al. (2010) Mining protein dynamics from Sets of crystal structures using 'Consensus Structures'. In Protein science : a publication of the Protein Society.
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Ewgenij Proschak, Jörg K Wegner, Andreas Schüller et al. (2007) Molecular query language (MQL)--a context-free grammar for substructure matching., 295-301. In Journal of chemical information and modeling 47 (2).
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Dimitris K Agrafiotis, Deepak Bandyopadhyay, Jörg K Wegner et al. (2007) Recent advances in chemoinformatics., 1279-93. In Journal of chemical information and modeling 47 (4).
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Jörg K. Wegner, Holger Fröhlich, Holger M. Mielenz et al. (2006) Data and Graph Mining in Chemical Space for ADME and Activity Data Sets, 205-220. In QSAR & Combinatorial Science 25 (3).
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Holger Fröhlich, Jörg. K. Wegner, Florian Sieker et al. (2006) Kernel Functions for Attributed Molecular Graphs – A New Similarity-Based Approach to ADME Prediction in Classification and Regression, 317-326. In QSAR & Combinatorial Science 25 (4).
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Rajarshi Guha, Michael T Howard, Geoffrey R Hutchison et al. (2006) The Blue Obelisk-interoperability in chemical informatics., 991-8. In Journal of chemical information and modeling 46 (3).
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Patent (2)
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Genadiy Kalayanov, Bart Rudolf Kesteleyn, Kevin Parkes et al. (2011) 5-AMINO- 4-HYDROXYPENTOYL AMIDES.
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Jörg Kurt Wegner, Herman Van Vlijmen, Carlo Willy Maurice Boutton (2006) Phenotype prediction method.
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Web Page (3)
Awards and Grants
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Jun 2007Johnson&Johnson encore award 2007 View website
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Jun 2006Johnson&Johnson encore award 2006 View website
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Oct 2005[i]lab Award – the sanofi-aventis group
Biographical Information
Working in antiinfective and antiviral drug design.
Post-Doc Cheminformatics/Modeling
Tibotec BVBA, Mechelen, Belgium
Computer Science
Centre for Bioinformatics Tübingen (ZBIT), Germany
Master thesis
Computer-Chemistry-Centre (CCC), Prof. Gasteiger, Erlangen, Germany
Chemistry
Eberhardt-Karls-University of Tuebingen, Germany
Post-Doc Cheminformatics/Modeling
Tibotec BVBA, Mechelen, Belgium
Computer Science
Centre for Bioinformatics Tübingen (ZBIT), Germany
Master thesis
Computer-Chemistry-Centre (CCC), Prof. Gasteiger, Erlangen, Germany
Chemistry
Eberhardt-Karls-University of Tuebingen, Germany
Contact Information
| Webpage: | miningdrugs.blogspot.com |
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