| 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 | 489 | 2015 |
| 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 | 469 | 2013 |
| 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 | 357 | 2016 |
| Impact of GPCR structures on drug discovery M Congreve, C de Graaf, NA Swain, CG Tate Cell 181 (1), 81-91, 2020 | 343 | 2020 |
| 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 | 343 | 2011 |
| Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen Nature communications 10 (1), 1-17, 2019 | 325* | 2019 |
| 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 | 316 | 2012 |
| 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 | 294 | 2014 |
| Cytochrome P450 in silico: an integrative modeling approach C De Graaf, NPE Vermeulen, KA Feenstra Journal of medicinal chemistry 48 (8), 2725-2755, 2005 | 284 | 2005 |
| 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 | 275 | 2014 |
| 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 | 266 | 2010 |
| 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 | 257 | 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 | 248 | 2012 |
| 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 | 241 | 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 | 235 | 2020 |
| 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 | 220 | 2017 |
| Kinetics for Drug Discovery: an industry-driven effort to target drug residence time Drug Discovery Today, 2017 | 204* | 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 | 174 | 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 | 173 | 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 | 168 | 2008 |
Albert J. KooistraUniversity of Copenhagen | Synamics Tx | KvantifyVerified email at sund.ku.dk