| Identification of compounds with binding affinity to proteins via magnetization transfer from bulk water C Dalvit, P Pevarello, M Tatò, M Veronesi, A Vulpetti, M Sundström Journal of biomolecular NMR 18, 65-68, 2000 | 605 | 2000 |
| Structural characterization of the GSK-3β active site using selective and non-selective ATP-mimetic inhibitors JA Bertrand, S Thieffine, A Vulpetti, C Cristiani, B Valsasina, S Knapp, ... Journal of molecular biology 333 (2), 393-407, 2003 | 370 | 2003 |
| Comparability of Mixed IC50 Data – A Statistical Analysis T Kalliokoski, C Kramer, A Vulpetti, P Gedeck PloS one 8 (4), e61007, 2013 | 319 | 2013 |
| The Experimental Uncertainty of Heterogeneous Public Ki Data C Kramer, T Kalliokoski, P Gedeck, A Vulpetti Journal of medicinal chemistry 55 (11), 5165-5173, 2012 | 237 | 2012 |
| Fluorine as a hydrogen‐bond acceptor: Experimental evidence and computational calculations C Dalvit, C Invernizzi, A Vulpetti Chemistry–A European Journal 20 (35), 11058-11068, 2014 | 204 | 2014 |
| 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 1. Lead finding P Pevarello, MG Brasca, R Amici, P Orsini, G Traquandi, L Corti, C Piutti, ... Journal of medicinal chemistry 47 (13), 3367-3380, 2004 | 183 | 2004 |
| Potent and selective Aurora inhibitors identified by the expansion of a novel scaffold for protein kinase inhibition D Fancelli, D Berta, S Bindi, A Cameron, P Cappella, P Carpinelli, ... Journal of medicinal chemistry 48 (8), 3080-3084, 2005 | 176 | 2005 |
| Assessment of docking poses: interactions-based accuracy classification (IBAC) versus crystal structure deviations RT Kroemer, A Vulpetti, JJ McDonald, DC Rohrer, JY Trosset, ... Journal of Chemical Information and Computer Sciences 44 (3), 871-881, 2004 | 154 | 2004 |
| Ligand-based fluorine NMR screening: principles and applications in drug discovery projects C Dalvit, A Vulpetti Journal of medicinal chemistry 62 (5), 2218-2244, 2018 | 153 | 2018 |
| Fluorine local environment: from screening to drug design A Vulpetti, C Dalvit Drug discovery today 17 (15-16), 890-897, 2012 | 153 | 2012 |
| Sequence and structural analysis of kinase ATP pocket residues A Vulpetti, R Bosotti Il farmaco 59 (10), 759-765, 2004 | 153 | 2004 |
| Discovery of LOU064 (Remibrutinib), a potent and highly selective covalent inhibitor of Bruton’s tyrosine kinase D Angst, F Gessier, P Janser, A Vulpetti, R Wälchli, C Beerli, ... Journal of Medicinal Chemistry 63 (10), 5102-5118, 2020 | 149 | 2020 |
| 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 2. Lead optimization P Pevarello, MG Brasca, P Orsini, G Traquandi, A Longo, M Nesi, F Orzi, ... Journal of medicinal chemistry 48 (8), 2944-2956, 2005 | 145 | 2005 |
| Design and NMR-based screening of LEF, a library of chemical fragments with different local environment of fluorine A Vulpetti, U Hommel, G Landrum, R Lewis, C Dalvit Journal of the American Chemical Society 131 (36), 12949-12959, 2009 | 144 | 2009 |
| Fluorine–Protein Interactions and 19F NMR Isotropic Chemical Shifts: An Empirical Correlation with Implications for Drug Design C Dalvit, A Vulpetti ChemMedChem 6 (1), 104-114, 2011 | 129 | 2011 |
| Predicting polypharmacology by binding site similarity: from kinases to the protein universe F Milletti, A Vulpetti Journal of chemical information and modeling 50 (8), 1418-1431, 2010 | 123 | 2010 |
| Complement pathway modulators and uses thereof E Altmann, U Hommel, ELJ Lorthiois, JK Maibaum, N Ostermann, ... US Patent 9,085,555, 2015 | 116 | 2015 |
| Azaindole derivatives, process for their preparation, and their use as antitumor agents A Longo, MG Brasca, P Orsini, G Traquandi, V Pittalà, A Vulpetti, M Varasi, ... US Patent 6,335,342, 2002 | 114 | 2002 |
| 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents P Pevarello, R Amici, G Traquandi, M Villa, A Vulpetti, A Isacchi US Patent App. 10/770,019, 2004 | 103 | 2004 |
| Weak intermolecular hydrogen bonds with fluorine: detection and implications for enzymatic/chemical reactions, chemical properties, and ligand/protein fluorine NMR screening C Dalvit, A Vulpetti Chemistry–A European Journal 22 (22), 7592-7601, 2016 | 101 | 2016 |
