| GPCRdb in 2021: integrating GPCR sequence, structure and function AJ Kooistra, S Mordalski, G Pándy-Szekeres, M Esguerra, A Mamyrbekov, ... Nucleic Acids Research 49 (D1), D335-D343, 2021 | 366 | 2021 |
| Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen MP Menden, D Wang, MJ Mason, B Szalai, KC Bulusu, Y Guan, T Yu, ... Nature communications 10 (1), 2674, 2019 | 325 | 2019 |
| 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 |
| 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 |
| GPCR activation mechanisms across classes and macro/microscales AS Hauser, AJ Kooistra, C Munk, FM Heydenreich, DB Veprintsev, ... Nature structural & molecular biology 28 (11), 879-888, 2021 | 203 | 2021 |
| 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 | 164 | 2016 |
| Differential GLP-1R binding and activation by peptide and non-peptide agonists X Zhang, MJ Belousoff, P Zhao, AJ Kooistra, TT Truong, SY Ang, ... Molecular Cell 80 (3), 485-500. e7, 2020 | 153 | 2020 |
| GPCRdb in 2023: state-specific structure models using AlphaFold2 and new ligand resources G Pándy-Szekeres, J Caroli, A Mamyrbekov, AA Kermani, GM Keserű, ... Nucleic acids research 51 (D1), D395-D402, 2023 | 136 | 2023 |
| The landscape of atypical and eukaryotic protein kinases GK Kanev, C de Graaf, IJP de Esch, R Leurs, T Würdinger, BA Westerman, ... Trends in pharmacological sciences 40 (11), 818-832, 2019 | 133 | 2019 |
| KLIFS: an overhaul after the first 5 years of supporting kinase research GK Kanev, C de Graaf, BA Westerman, IJP de Esch, AJ Kooistra Nucleic acids research 49 (D1), D562-D569, 2021 | 124 | 2021 |
| Structure-based virtual screening for ligands of G protein–coupled receptors: what can molecular docking do for you? F Ballante, AJ Kooistra, S Kampen, C de Graaf, J Carlsson, G Schulte Pharmacological Reviews 73 (4), 1698-1736, 2021 | 119 | 2021 |
| A structural chemogenomics analysis of aminergic GPCRs: lessons for histamine receptor ligand design AJ Kooistra, S Kuhne, IJP De Esch, R Leurs, C De Graaf British journal of pharmacology 170 (1), 101-126, 2013 | 98 | 2013 |
| Function-specific virtual screening for GPCR ligands using a combined scoring method AJ Kooistra, HF Vischer, D McNaught-Flores, R Leurs, IJP De Esch, ... Scientific reports 6 (1), 28288, 2016 | 96 | 2016 |
| Structure of the class D GPCR Ste2 dimer coupled to two G proteins V Velazhahan, N Ma, G Pándy-Szekeres, AJ Kooistra, Y Lee, DE Gloriam, ... Nature 589 (7840), 148-153, 2021 | 91 | 2021 |
| Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints F Sirci, EP Istyastono, HF Vischer, AJ Kooistra, S Nijmeijer, M Kuijer, ... Journal of chemical information and modeling 52 (12), 3308-3324, 2012 | 90 | 2012 |
| Chemical diversity in the G protein-coupled receptor superfamily M Vass, AJ Kooistra, D Yang, RC Stevens, MW Wang, C de Graaf Trends in Pharmacological Sciences 39 (5), 494-512, 2018 | 85 | 2018 |
| Crowdsourced mapping of unexplored target space of kinase inhibitors A Cichońska, B Ravikumar, RJ Allaway, F Wan, S Park, O Isayev, S Li, ... Nature communications 12 (1), 3307, 2021 | 76 | 2021 |
| The G protein database, GproteinDb G Pándy-Szekeres, M Esguerra, AS Hauser, J Caroli, C Munk, S Pilger, ... Nucleic Acids Research 50 (D1), D518-D525, 2022 | 73 | 2022 |
| Molecular Determinants of Ligand Binding Modes in the Histamine H4 Receptor: Linking Ligand-Based Three-Dimensional Quantitative Structure–Activity Relationship (3D-QSAR … EP Istyastono, S Nijmeijer, HD Lim, A van de Stolpe, L Roumen, ... J. Med. Chem 54 (23), 8136-8147, 2011 | 70 | 2011 |
| Aminergic gpcr–ligand interactions: A chemical and structural map of receptor mutation data M Vass, S Podlewska, IJP De Esch, AJ Bojarski, R Leurs, AJ Kooistra, ... Journal of medicinal chemistry 62 (8), 3784-3839, 2018 | 69 | 2018 |
Chris de GraafStructure TherapeuticsVerified email at structuretx.com
