Gerard van Westen MSc

Postdoctoral Fellow

EMBL-EBI

Location
Hinxton, United Kingdom
Discipline
Chemistry
Interests
Machine learning, statistical modeling, GPCRs
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About

I studied Biopharmaceutical Sciences at Leiden University from September 2001 until September 2007. In the final years I have done two major internships. The first one was within the LACDR on a biochemical project. The second one was something completely different on a computational project at Tibotec in Mechelen Belgium. It was here that I discovered the challenging side of computational research.

I did my PhD at the group of Medicinal Chemistry Leiden in close collaboration with Tibotec in the fall of 2007 until 2012. My project focused on the development of proteochemometric modeling which can map structure activity relations between a series of compounds and a series of proteins including pair specific interaction data.Developing this technique and characterizing its advantages and possible shortcomings is the aim of my work (a collaboration between Leiden University and Jansen Belgium)

Currently I started as a postdoc in the ChEMBL group (headed by John Overington) at the European Bioinformatics Institute. The project is a cooperation between the EBI and the group of Sthephen Cusack in Grenoble.

Please see my personal website (www.gjpvanwesten.nl) for further info, publications and reprint requests.

Specialties: In silico research, modeling, machine learning, proteochemometrics, chemogenomics, QSAR, computer aided drug design

I am always interested in collaborations, so don't hesitate to contact me.
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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.
  • A Novel Nonribose Agonist, LUF5834, Engages Residues That Are Distinct from Those of Adenosine-Like Ligands to Activate the Adenosine A2a Receptor

    Lane J, Klein Herenbrink C, Van Westen G, Spoorendonk J, Hoffman C, IJzerman A

    Molecular Pharmacology (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.
  • Three “hotspots” important for adenosine A2B receptor activation: a mutational analysis of transmembrane domains 4 and 5 and the second extracellular loop

    Peeters M, Li Q, van Westen G, IJzerman A

    Purinergic Signalling

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • GPCR structure and activation: an essential role for the first extracellular loop in activating the adenosine A2B receptor

    Peeters M, van Westen G, Guo D, Wisse L, Müller C, Beukers M et al.

    The FASEB Journal (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Importance of the extracellular loops in G protein-coupled receptors for ligand recognition and receptor activation.

    Peeters M, van Westen G, Li Q, Ijzerman A

    Trends in pharmacological sciences (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Proteochemometric Modeling as a Tool for Designing Selective Compounds and Extrapolating to Novel Targets

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

    Medicinal Chemistry Communications (2011)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Chemogenomics 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 (2010)

    • -- 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 (2010)

    • -- Readers Readers not available. This publication is not currently accessible in the Mendeley catalog.
  • Chemogenomics: Looking at Biology through the Lens of Chemistry

    Doddareddy M, van Westen G, van der Horst E, Peironcely J, Corthals F, Ijzerman A et al.

    Statistical Analysis and Data Mining (2009)

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

Professional experience

Postdoctoral Fellow

EMBL-EBI

May 2012 - Present

PhD Student

Universiteit Leiden

November 2007 - March 2012 (4 years 4 months)

Education history

Leiden University

MSc

September 2001 - September 2006 (5 years)