Joerg Kurt Wegner PhD

Senior Scientist

Janssen

City
Mechelen, Belgium
Discipline
Chemistry
Interests
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
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About

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
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Publications

  • Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data.

    van Westen G, Hendriks A, Wegner J, Ijzerman A, van Vlijmen H, Bender A

    PLoS computational biology (2013)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Cheminformatics

    Wegner J, Willighagen E, Sterling A, Guha R, Bender A, Faulon J et al.

    Communications of the ACM (2012)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data.

    van Westen G, van den Hoven O, van der Pijl R, Mulder-Krieger T, de Vries H, Wegner J et al.

    Journal of medicinal chemistry (2012)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development

    van Westen G, Wegner J, Geluykens P, Kwanten L, Vereycken I, Peeters A et al.

    PLoS ONE (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • 5-AMINO- 4-HYDROXYPENTOYL AMIDES

    Kalayanov G, Kesteleyn B, Parkes K, Samuelsson B, Schepens W, Thuring J et al.

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space.

    van der Horst E, Peironcely J, van Westen G, van den Hoven O, Galloway W, Spring D et al.

    Current topics in medicinal chemistry (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Disubstituted Bis-THF Moieties as New P2 Ligands in Nonpeptidal HIV-1 Protease Inhibitors

    Hohlfeld K, Tomassi C, Wegner J, Kesteleyn B, Linclau B

    ACS Medicinal Chemistry Letters (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Preparing and Filtering Compound Databases for Virtual and Experimental Screening

    Virtual Screening: Principles, Challenges, and Practical Guidelines (Methods and Principles in Medicinal Chemistry) (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

    van Westen G, Wegner J, IJzerman A, van Vlijmen H, Bender A

    MedChemComm (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Mining Drug Space

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • joergkurtwegner.eu

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Mining protein dynamics from Sets of crystal structures using 'Consensus Structures'

    van Westen G, Wegner J, Bender A, Ijzerman A, van Vlijmen H

    Protein science : a publication of the Protein Society (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Molecular Descriptors

    Fechner N, Hinselmann G, Wegner J

    Handbook of Chemoinformatics Algorithms (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Prediction of aqueous solubility and partition coefficient optimized by a genetic algorithm based descriptor selection method.

    Wegner J, Zell A

    Journal of chemical information and computer sciences (2003)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Towards Optimal Descriptor Subset Selection with Support Vector Machines in Classification and Regression

    Fröhlich H, Wegner J, Zell A

    QSAR & Combinatorial Science (2004)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Data and Graph Mining in Chemical Space for ADME and Activity Data Sets

    Wegner J, Fröhlich H, Mielenz H, Zell A

    QSAR & Combinatorial Science (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Feature selection for descriptor based classification models. 2. Human intestinal absorption (HIA).

    Wegner J, Fröhlich H, Zell A

    Journal of chemical information and computer sciences (2004)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Feature selection for descriptor based classification models. 1. Theory and GA-SEC algorithm.

    Wegner J, Fröhlich H, Zell A

    Journal of chemical information and computer sciences (2004)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Molecular query language (MQL)--a context-free grammar for substructure matching.

    Proschak E, Wegner J, Schüller A, Schneider G, Fechner U

    Journal of chemical information and modeling (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Phenotype prediction method

    Wegner J, Van Vlijmen H, Boutton C

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Kernel Functions for Attributed Molecular Graphs – A New Similarity-Based Approach to ADME Prediction in Classification and Regression

    Fröhlich H, Wegner J, Sieker F, Zell A

    QSAR & Combinatorial Science (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • The compressed feature matrix--a fast method for feature based substructure search.

    Abolmaali S, Wegner J, Zell A

    Journal of molecular modeling (2003)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • The Blue Obelisk-interoperability in chemical informatics.

    Guha R, Howard M, Hutchison G, Murray-Rust P, Rzepa H, Steinbeck C et al.

    Journal of chemical information and modeling (2006)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Recent advances in chemoinformatics.

    Agrafiotis D, Bandyopadhyay D, Wegner J, Vlijmen H

    Journal of chemical information and modeling (2007)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.

Professional experience

Senior Scientist

Janssen

September 2007 - Present

Education history

Tibotec

PostDoc

October 2005 - October 2007 (2 years)