| Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges I Kufareva, V Katritch, RC Stevens, R Abagyan Structure 22 (8), 1120-1139, 2014 | 191 | 2014 |
| Targeting aquaporin function: potent inhibition of aquaglyceroporin-3 by a gold-based compound AP Martins, A Marrone, A Ciancetta, A Galan Cobo, M Echevarria, ... PloS one 7 (5), e37435, 2012 | 167 | 2012 |
| A3 Adenosine Receptors as Modulators of Inflammation: From Medicinal Chemistry to Therapy KA Jacobson, S Merighi, K Varani, PA Borea, S Baraldi, ... Medicinal research reviews 38 (4), 1031-1072, 2018 | 158 | 2018 |
| Aquaporin inhibition by gold (III) compounds: new insights AP Martins, A Ciancetta, A De Almeida, A Marrone, N Re, G Soveral, ... ChemMedChem 8 (7), 1086-1092, 2013 | 102 | 2013 |
| Rationalization of the inhibition activity of structurally related organometallic compounds against the drug target cathepsin B by DFT A Casini, F Edafe, M Erlandsson, L Gonsalvi, A Ciancetta, N Re, A Ienco, ... Dalton Transactions 39 (23), 5556-5563, 2010 | 97 | 2010 |
| Deciphering the complexity of ligand–protein recognition pathways using supervised molecular dynamics (SuMD) simulations A Cuzzolin, M Sturlese, G Deganutti, V Salmaso, D Sabbadin, A Ciancetta, ... Journal of chemical information and modeling 56 (4), 687-705, 2016 | 89 | 2016 |
| Bridging Molecular Docking to Membrane Molecular Dynamics To Investigate GPCR–Ligand Recognition: The Human A2A Adenosine Receptor as a Key Study D Sabbadin, A Ciancetta, S Moro Journal of Chemical Information and Modeling 54 (1), 169-183, 2014 | 76 | 2014 |
| Advances in computational techniques to study GPCR–ligand recognition A Ciancetta, D Sabbadin, S Federico, G Spalluto, S Moro Trends in pharmacological sciences 36 (12), 878-890, 2015 | 60 | 2015 |
| DockBench: an integrated informatic platform bridging the gap between the robust validation of docking protocols and virtual screening simulations A Cuzzolin, M Sturlese, I Malvacio, A Ciancetta, S Moro, R Ragno Molecules 20 (6), 9977-9993, 2015 | 58 | 2015 |
| Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive … G Deganutti, A Cuzzolin, A Ciancetta, S Moro Bioorganic & Medicinal Chemistry 23 (14), 4065-4071, 2015 | 56 | 2015 |
| Structure-Guided Modification of Heterocyclic Antagonists of the P2Y14 Receptor J Yu, A Ciancetta, S Dudas, S Duca, J Lottermoser, KA Jacobson Journal of medicinal chemistry 61 (11), 4860-4882, 2018 | 48 | 2018 |
| Structure-Based Design of 3-(4-Aryl-1H-1,2,3-triazol-1-yl)-Biphenyl Derivatives as P2Y14 Receptor Antagonists A Junker, R Balasubramanian, A Ciancetta, E Uliassi, E Kiselev, ... Journal of Medicinal Chemistry 59 (13), 6149-6168, 2016 | 48 | 2016 |
| South (S)-and North (N)-methanocarba-7-deazaadenosine analogues as inhibitors of human adenosine kinase KS Toti, D Osborne, A Ciancetta, D Boison, KA Jacobson Journal of medicinal chemistry 59 (14), 6860-6877, 2016 | 46 | 2016 |
| Exploring the recognition pathway at the human A 2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations D Sabbadin, A Ciancetta, G Deganutti, A Cuzzolin, S Moro MedChemComm 6 (6), 1081-1085, 2015 | 45 | 2015 |
| Structural Probing and Molecular Modeling of the A3 Adenosine Receptor: A Focus on Agonist Binding A Ciancetta, KA Jacobson Molecules 22 (3), 449, 2017 | 42 | 2017 |
| A QM/MM study of the binding of RAPTA ligands to cathepsin B A Ciancetta, S Genheden, U Ryde Journal of computer-aided molecular design 25, 729-742, 2011 | 42 | 2011 |
| 7-Amino-2-phenylpyrazolo [4, 3-d] pyrimidine derivatives: Structural investigations at the 5-position to target human A1 and A2A adenosine receptors. Molecular modeling and … L Squarcialupi, V Colotta, D Catarzi, F Varano, M Betti, K Varani, ... European Journal of Medicinal Chemistry 84, 614-627, 2014 | 29 | 2014 |
| 2-Arylpyrazolo[4,3-d]pyrimidin-7-amino Derivatives As New Potent and Selective Human A3 Adenosine Receptor Antagonists. Molecular Modeling Studies and … L Squarcialupi, V Colotta, D Catarzi, F Varano, G Filacchioni, K Varani, ... Journal of Medicinal Chemistry 56 (6), 2256-2269, 2013 | 29 | 2013 |
| 5, 7-Disubstituted-[1, 2, 4] triazolo [1, 5-a][1, 3, 5] triazines as pharmacological tools to explore the antagonist selectivity profiles toward adenosine receptors S Federico, A Ciancetta, N Porta, S Redenti, G Pastorin, B Cacciari, ... European Journal of Medicinal Chemistry 108, 529-541, 2016 | 28 | 2016 |
| Alternative Quality Assessment Strategy to Compare Performances of GPCR-Ligand Docking Protocols: The Human Adenosine A2A Receptor as a Case Study A Ciancetta, A Cuzzolin, S Moro Journal of Chemical Information and Modeling 54 (8), 2243-2254, 2014 | 28 | 2014 |
Stefano MoroProfessor of Medicinal ChemistryEmail được xác minh tại unipd.it