Joerg Kurt Wegner PhD

Senior Scientist

Janssen

Location
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

Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets.

van Westen G, Swier R, Wegner J, Ijzerman A, van Vlijmen H, Bender A et al.

J Cheminform (2013)

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

{P}roteochemometric 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

Med. Chem. Commun. (2011)

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Cheminformatics

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

Commun. ACM (2012)

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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)

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Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV-1 Protease Inhibitors (II).

Hohlfeld K, Wegner J, Kesteleyn B, Linclau B, Unge J

J Med Chem (2015)

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{D}isubstituted {B}is--{THF} {M}oieties as {N}ew {P}2 {L}igands in {N}onpeptidal {HIV}--1 {P}rotease Inhibitors

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

ACS Med. Chem. Lett. (2011)

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

A community effort to assess and improve drug sensitivity prediction algorithms.

Costello J, Heiser L, Georgii E, G�nen M, Menden M, Wang N et al.

Nat Biotechnol (2014)

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

Using transcriptomics to guide lead optimization in drug discovery projects: Lessons learned from the QSTAR project.

Verbist B, Klambauer G, Vervoort L, Talloen W, Consortium ,, Shkedy Z et al.

Drug Discov Today (2015)

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Design and synthesis of HIV-1 protease inhibitors for a long-acting injectable drug application.

Kesteleyn B, Amssoms K, Schepens W, Hache G, Verschueren W, Van De Vreken W et al.

Bioorg Med Chem Lett (2013)

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

Deep Learning as an Opportunity in Virtual Screening

Unterthiner T, Mayr A, Klambauer G, Steijaert M, Ceulemans H, Wegner J et al.

Workshop on Deep Learning and Representation Learning (NIPS2014) (2014)

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

A community computational challenge to predict the activity of pairs of compounds

Bansal M, Yang J, Karan C, Menden M, Costello J, Tang H et al.

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

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)

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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)

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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.

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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)

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Mining Drug Space

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joergkurtwegner.eu

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Towards Optimal Descriptor Subset Selection with Support Vector Machines in Classification and Regression

Fröhlich H, Wegner J, Zell A

QSAR & Combinatorial Science (2004)

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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)

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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)

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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)

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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.

Professional experience

Senior Scientist

Janssen

September 2007 - Present

Education history

Tibotec

PostDoc

October 2005 - October 2007 (2 years)