| Trienamines in asymmetric organocatalysis: diels− Alder and tandem reactions ZJ Jia, H Jiang, JL Li, B Gschwend, QZ Li, X Yin, J Grouleff, YC Chen, ... Journal of the American Chemical Society 133 (13), 5053-5061, 2011 | 392 | 2011 |
| The influence of cholesterol on membrane protein structure, function, and dynamics studied by molecular dynamics simulations J Grouleff, SJ Irudayam, KK Skeby, B Schiøtt Biochimica et Biophysica Acta (BBA)-Biomembranes 1848 (9), 1783-1795, 2015 | 227 | 2015 |
| Monoamine transporters: insights from molecular dynamics simulations J Grouleff, LK Ladefoged, H Koldsø, B Schiøtt Frontiers in pharmacology 6, 235, 2015 | 82 | 2015 |
| Heteroaromatic Tosylates as Electrophiles in Regioselective Mizoroki–Heck‐Coupling Reactions with Electron‐Rich Olefins TM Gøgsig, AT Lindhardt, M Dekhane, J Grouleff, T Skrydstrup Chemistry–A European Journal 15 (24), 5950-5955, 2009 | 69 | 2009 |
| Unbiased Simulations Reveal the Inward-Facing Conformation of the Human Serotonin Transporter and Na+ Ion Release H Koldsø, P Noer, J Grouleff, HE Autzen, S Sinning, B Schiøtt PLoS computational biology 7 (10), e1002246, 2011 | 63 | 2011 |
| A conserved leucine occupies the empty substrate site of LeuT in the Na+-free return state L Malinauskaite, S Said, C Sahin, J Grouleff, A Shahsavar, H Bjerregaard, ... Nature communications 7 (1), 11673, 2016 | 62 | 2016 |
| Ligand induced conformational changes of the human serotonin transporter revealed by molecular dynamics simulations H Koldsø, HE Autzen, J Grouleff, B Schiøtt PLoS One 8 (6), e63635, 2013 | 58 | 2013 |
| De novo design of boron-based peptidomimetics as potent inhibitors of human ClpP in the presence of human ClpX J Tan, JJ Grouleff, Y Jitkova, DB Diaz, EC Griffith, W Shao, ... Journal of Medicinal Chemistry 62 (13), 6377-6390, 2019 | 46 | 2019 |
| In Vitro Effects of the Endocrine Disruptor p,p’-DDT on Human Follitropin Receptor M Munier, J Grouleff, L Gourdin, M Fauchard, V Chantreau, D Henrion, ... Environmental Health Perspectives 124 (7), 991-999, 2016 | 36 | 2016 |
| Thiourea-catalyzed domino Michael–Mannich [3+ 2] cycloadditions: A strategy for the asymmetric synthesis of 3, 3′-pyrrolidinyl-dispirooxindoles Y Zhi, K Zhao, C von Essen, K Rissanen, D Enders Synlett 28 (20), 2876-2880, 2017 | 33 | 2017 |
| Properties of an inward-facing state of LeuT: conformational stability and substrate release J Grouleff, S Søndergaard, H Koldsø, B Schiøtt Biophysical journal 108 (6), 1390-1399, 2015 | 27 | 2015 |
| Design, synthesis, and characterization of 4-aminoquinazolines as potent inhibitors of the G protein-coupled receptor kinase 6 (GRK6) for the treatment of multiple myeloma DE Uehling, B Joseph, KC Chung, AX Zhang, S Ler, MA Prakesch, ... Journal of medicinal chemistry 64 (15), 11129-11147, 2021 | 25 | 2021 |
| Phenolic lipids derived from cashew nut shell liquid to treat metabolic diseases C Sahin, L Magomedova, TAM Ferreira, J Liu, J Tiefenbach, PS Alves, ... Journal of Medicinal Chemistry 65 (3), 1961-1978, 2022 | 24 | 2022 |
| Interrogating the molecular basis for substrate recognition in serotonin and dopamine transporters with high-affinity substrate-based bivalent ligands J Andersen, LK Ladefoged, TNB Kristensen, L Munro, J Grouleff, ... ACS chemical neuroscience 7 (10), 1406-1417, 2016 | 24 | 2016 |
| Insights to ligand binding to the monoamine transporters—from homology modeling to LeuBAT and dDAT H Koldsø, J Grouleff, B Schiøtt Frontiers in pharmacology 6, 208, 2015 | 23 | 2015 |
| Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing V Kovalishyn, J Grouleff, I Semenyuta, VO Sinenko, SR Slivchuk, ... Chemical biology & drug design 92 (1), 1272-1278, 2018 | 16 | 2018 |
| Microwave-Promoted Synthesis of 4-Arylpyrimidines by Pd-Catalysed Suzuki–Miyaura Coupling of 4-Pyrimidyl Tosylates in Water J Rodríguez-Aguilar, B Ordóñez, M Vidal, MC Rezende, M Domínguez SynOpen 1 (01), 0024-0028, 2017 | 12 | 2017 |
| Ligand binding in the extracellular vestibule of the neurotransmitter transporter homologue LeuT J Grouleff, H Koldsø, Y Miao, B Schiøtt ACS Chemical Neuroscience 8 (3), 619-628, 2017 | 10 | 2017 |
| Searching peptide conformational space J Grouleff, F Jensen Journal of Chemical Theory and Computation 7 (6), 1783-1790, 2011 | 10 | 2011 |
| Toward an enhanced sampling molecular dynamics method for studying ligand-induced conformational changes in proteins OJ Andersen, J Grouleff, P Needham, RC Walker, F Jensen The Journal of Physical Chemistry B 119 (46), 14594-14603, 2015 | 4 | 2015 |
