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Anna Vulpetti
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Identification of compounds with binding affinity to proteins via magnetization transfer from bulk water
C Dalvit, P Pevarello, M Tatņ, M Veronesi, A Vulpetti, M Sundström
Journal of biomolecular NMR 18, 65-68, 2000
5972000
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
3582003
Comparability of Mixed IC50 Data – A Statistical Analysis
T Kalliokoski, C Kramer, A Vulpetti, P Gedeck
PloS one 8 (4), e61007, 2013
2972013
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
2272012
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
1932014
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
1792004
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
1752005
Fluorine local environment: from screening to drug design
A Vulpetti, C Dalvit
Drug discovery today 17 (15-16), 890-897, 2012
1512012
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
1502004
Sequence and structural analysis of kinase ATP pocket residues
A Vulpetti, R Bosotti
Il farmaco 59 (10), 759-765, 2004
1462004
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
1422009
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
1402005
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
1372018
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
1262020
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
1262011
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
1202010
Azaindole derivatives, process for their preparation, and their use as antitumor agents
A Longo, MG Brasca, P Orsini, G Traquandi, V Pittalą, A Vulpetti, M Varasi, ...
US Patent 6,335,342, 2002
1142002
Complement pathway modulators and uses thereof
E Altmann, U Hommel, ELJ Lorthiois, JK Maibaum, N Ostermann, ...
US Patent 9,085,555, 2015
1112015
Azaindole derivatives, process for their preparation, and their use as antitumor agents
A Longo, MG Brasca, P Orsini, G Traquandi, V Pittalą, A Vulpetti, M Varasi, ...
US Patent 6,486,322, 2002
1002002
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
932016
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