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
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
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
Impact of GPCR structures on drug discovery
M Congreve, C de Graaf, NA Swain, CG Tate
Cell 181 (1), 81-91, 2020
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen
Nature communications 10 (1), 1-17, 2019
Cytochrome P450 in silico: an integrative modeling approach
C De Graaf, NPE Vermeulen, KA Feenstra
Journal of medicinal chemistry 48 (8), 2725-2755, 2005
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
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
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
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
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
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
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
Advances in therapeutic peptides targeting G protein-coupled receptors
AP Davenport, CCG Scully, C de Graaf, AJH Brown, JJ Maguire
Nature Reviews Drug Discovery 19 (6), 389-413, 2020
Kinetics for Drug Discovery: an industry-driven effort to target drug residence time
Drug Discovery Today, 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
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