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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 (http://3d-e-chem.github.io).

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Research Output 2004 2018

  • 93 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., 2018, Computational Methods for GPCR Drug Discovery. Heifetz, A. (ed.). Humana Press Inc, p. 73-113 41 p. (Methods in Molecular Biology; vol. 1705)

Research output: Chapter in Book / Report / Conference proceedingChapterAcademicpeer-review

G-Protein-Coupled Receptors
Binding Sites
Ligands
Workflow
Mutation

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 articleAcademicpeer-review

G-Protein-Coupled Receptors
Ligands
Cell signaling
Chemical compounds
Modulators

CXCR4-targeting nanobodies differentially inhibit CXCR4 function and HIV entry

Van Hout, A., Klarenbeek, A., Bobkov, V., Doijen, J., Arimont, M., Zhao, C., Heukers, R., Rimkunas, R., de Graaf, C., Verrips, T., van der Woning, B., de Haard, H., Rucker, J. B., Vermeire, K., Handel, T., Van Loy, T., Smit, M. J. & Schols, D., 1 Dec 2018, In : Biochemical Pharmacology. 158, p. 402-412 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Single-Domain Antibodies
HIV
HIV Receptors
Calcium-Sensing Receptors
Anti-HIV Agents

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 JournalArticleAcademicpeer-review

Open Access
Histamine
Pyrilamine
Cells
Ligands
Kinetics

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 JournalArticleAcademicpeer-review

Open Access
G-Protein-Coupled Receptors
Dimers
monomers
Monomers
dimers