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Chris de Graaf performed his Ph.D. research at Vrije Universiteit Amsterdam on computational ligand binding mode and affinity predictions in cytochrome P450 enzymes (2002-2006). As postdoctoral fellow in the Structural Chemogenomics group (Dr. Rognan) at Université de Strasbourg, he worked in collaboration with AstraZeneca Pharmaceuticals on the development and application of novel G protein-coupled receptor modeling techniques (2006−2008). In 2009, Chris de Graaf obtained an NWO Veni grant to develop a research line in the computational prediction of structural protein−ligand interactions and was appointed assistant professor in the Division Medicinal Chemistry at Vrije Universiteit Amsterdam. In this interdisciplinary research environment, Dr. De Graaf is developing chemo/bioinformatics methods to complement synthetic medicinal chemistry, molecular pharmacology, and structural biology studies, including e-science technologies for structure-based polypharmacology prediction (

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Research Output 2004 2018

  • 91 Article
  • 5 Review article
  • 3 Chapter
  • 3 PhD Thesis - Research VU, graduation VU

A Structural Framework for GPCR Chemogenomics: What’s In a Residue Number?

Vass, M., Kooistra, A. J., Verhoeven, S., Gloriam, D., de Esch, I. J. P. & de Graaf, C. 1 Jan 2018 Methods in Molecular Biology. Humana Press Inc, Vol. 1705, p. 73-113 41 p. (Methods in Molecular Biology; vol. 1705)

Research output: Chapter in Book/Report/Conference proceedingChapter

Chemical Diversity in the G Protein-Coupled Receptor Superfamily

Vass, M., Kooistra, A. J., Yang, D., Stevens, R. C., Wang, M. W. & de Graaf, C. 1 May 2018 In : Trends in Pharmacological Sciences. 39, 5, p. 494-512 19 p.

Research output: Contribution to journalReview article

Development of novel fluorescent histamine H1-receptor antagonists to study ligand-binding kinetics in living cells

Stoddart, L. A., Vernall, A. J., Bouzo-Lorenzo, M., Bosma, R., Kooistra, A. J., De Graaf, C., Vischer, H. F., Leurs, R., Briddon, S. J., Kellam, B. & Hill, S. J. 1 Dec 2018 In : Scientific Reports. 8, 1, 1572

Research output: Contribution to journalArticle

Dynamic tuneable G protein-coupled receptor monomer-dimer populations

Dijkman, P. M., Castell, O. K., Goddard, A. D., Munoz-Garcia, J. C., De Graaf, C., Wallace, M. I. & Watts, A. 1 Dec 2018 In : Nature Communications. 9, 1, 1710

Research output: Contribution to journalArticle

Structural insights into serotonin receptor ligands polypharmacology

Podlewska, S., Kafel, R., Lacivita, E., Satała, G., Kooistra, A. J., Vass, M., de Graaf, C., Leopoldo, M., Bojarski, A. J. & Mordalski, S. 10 May 2018 In : European Journal of Medicinal Chemistry. 151, p. 797-814 18 p.

Research output: Contribution to journalArticle