Personal profile

Ancillary activities

No ancillary activities

Last update Ancillary Activities: Amsterdam (2018-02-23)

Personal information

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 (

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2004 2017

  • 87 Article
  • 4 Review article
  • 3 PhD Thesis - Research VU, graduation VU
  • 2 Chapter

1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space

Kanev, G. K., Kooistra, A. J., de Esch, I. J. P. & de Graaf, C. 2017 1.15 - Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space. Comprehensive Medicinal Chemistry III ed. Elsvier, Vol. 1, p. 444-471

Research output: Scientific - peer-reviewChapter

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

McGuire, R., Verhoeven, S., Vass, M., Vriend, G., De Esch, I. J. P., Lusher, S. J., Leurs, R., Ridder, L., Kooistra, A. J., Ritschel, T. & de Graaf, C. 27 Feb 2017 In : Journal of Chemical Information and Modeling. 57, 2, p. 115-121 7 p.

Research output: Scientific - peer-reviewArticle

Extending the Structural View of Class B GPCRs

de Graaf, C., Song, G., Cao, C., Zhao, Q., Wang, M. W., Wu, B. & Stevens, R. C. 1 Dec 2017 In : Trends in Biochemical Sciences. 42, 12, p. 946-960 15 p.

Research output: Scientific - peer-reviewReview article

Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators

Song, G. , Yang, D. , Wang, Y. , de Graaf, C. , Zhou, Q. , Jiang, S. , Liu, K. , Cai, X. , Dai, A. , Lin, G. , Liu, D. , Wu, F. , Wu, Y. , Zhao, S. , Ye, L. , Han, G. W. , Lau, J. , Wu, B. , Hanson, M. A. , Liu, Z. J. & 2 others Wang, M. W. & Stevens, R. C. 8 Jun 2017 In : Nature. 546, 7657, p. 312-315 4 p.

Research output: Scientific - peer-reviewArticle

Kinetics for Drug Discovery: an industry-driven effort to target drug residence time

Schuetz, D. A. , de Witte, W. E. A. , Wong, Y. C. , Knasmueller, B. , Richter, L. , Kokh, D. B. , Sadiq, S. K. , Bosma, R. , Nederpelt, I. , Heitman, L. H. , Segala, E. , Amaral, M. , Guo, D. , Andres, D. , Georgi, V. , Stoddart, L. A. , Hill, S. , Cooke, R. M. , de Graaf, C. , Leurs, R. & 6 others Frech, M., Wade, R. C., de Lange, E. C. M., IJzerman, A. P., Müller-Fahrnow, A. & Ecker, G. F. 1 Jun 2017 In : Drug Discovery Today. 22, 6, p. 896-911 16 p.

Research output: Scientific - peer-reviewReview article