Chris de Graaf
Chris de Graaf
Sosei Heptares
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Structure of the human glucagon class B G-protein-coupled receptor
FY Siu, M He, C De Graaf, GW Han, D Yang, Z Zhang, C Zhou, Q Xu, ...
Nature 499 (7459), 444-449, 2013
Generic GPCR residue numbers–aligning topology maps while minding the gaps
V Isberg, C De Graaf, A Bortolato, V Cherezov, V Katritch, FH Marshall, ...
Trends in pharmacological sciences 36 (1), 22-31, 2015
Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment
I Kufareva, M Rueda, V Katritch, GD participants, RC Stevens, R Abagyan
Structure 19 (8), 1108-1126, 2011
Cytochrome P450 in silico: an integrative modeling approach
C De Graaf, NPE Vermeulen, KA Feenstra
Journal of medicinal chemistry 48 (8), 2725-2755, 2005
Pharmacological modulation of chemokine receptor function
DJ Scholten, M Canals, D Maussang, L Roumen, MJ Smit, M Wijtmans, ...
British journal of pharmacology 165 (6), 1617-1643, 2012
Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H1 Receptor
C De Graaf, AJ Kooistra, HF Vischer, V Katritch, M Kuijer, M Shiroishi, ...
Journal of medicinal chemistry 54 (23), 8195-8206, 2011
Insights into the structure of class B GPCRs
K Hollenstein, C de Graaf, A Bortolato, MW Wang, FH Marshall, ...
Trends in pharmacological sciences 35 (1), 12-22, 2014
Glucagon-like peptide-1 and its class BG protein–coupled receptors: a long march to therapeutic successes
C De Graaf, D Donnelly, D Wootten, J Lau, PM Sexton, LJ Miller, JM Ahn, ...
Pharmacological reviews 68 (4), 954-1013, 2016
KLIFS: a knowledge-based structural database to navigate kinase–ligand interaction space
OPJ Van Linden, AJ Kooistra, R Leurs, IJP De Esch, C De Graaf
Journal of medicinal chemistry 57 (2), 249-277, 2014
Diazepam-bound GABAA receptor models identify new benzodiazepine binding-site ligands
L Richter, C De Graaf, W Sieghart, Z Varagic, M Mörzinger, IJP De Esch, ...
Nature chemical biology 8 (5), 455-464, 2012
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen
Nature communications 10 (1), 1-17, 2019
Ligand efficiency as a guide in fragment hit selection and optimization
S Schultes, C de Graaf, EEJ Haaksma, IJP de Esch, R Leurs, O Krämer
Drug Discovery Today: Technologies 7 (3), e157-e162, 2010
Structure of the full-length glucagon class B G-protein-coupled receptor
H Zhang, A Qiao, D Yang, L Yang, A Dai, C De Graaf, S Reedtz-Runge, ...
Nature 546 (7657), 259-264, 2017
Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators
SRC Song G, Yang D, Wang Y, de Graaf C, Zhou Q, Jiang S, Liu K, Cai X, Dai A ...
Nature, 2017
Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking
C De Graaf, C Oostenbrink, PHJ Keizers, T van Der Wijst, A Jongejan
J. Med. Chem 49 (8), 2417-2430, 2006
Binding mode prediction of cytochrome P450 and thymidine kinase protein− ligand complexes by consideration of water and rescoring in automated docking
C De Graaf, P Pospisil, W Pos, G Folkers, NPE Vermeulen
Journal of medicinal chemistry 48 (7), 2308-2318, 2005
Selective structure-based virtual screening for full and partial agonists of the β2 adrenergic receptor
C de Graaf, D Rognan
Journal of medicinal chemistry 51 (16), 4978-4985, 2008
Kinetics for Drug Discovery: an industry-driven effort to target drug residence time
Drug Discovery Today, 2017
Impact of GPCR structures on drug discovery
M Congreve, C de Graaf, NA Swain, CG Tate
Cell 181 (1), 81-91, 2020
KLIFS: a structural kinase-ligand interaction database
AJ Kooistra, GK Kanev, OPJ van Linden, R Leurs, IJP de Esch, C de Graaf
Nucleic acids research 44 (D1), D365-D371, 2016
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