| The mitochondrial calcium uniporter is a multimer that can include a dominant‐negative pore‐forming subunit A Raffaello, D De Stefani, D Sabbadin, E Teardo, G Merli, A Picard, ... The EMBO journal 32 (17), 2362-2376, 2013 | 544 | 2013 |
| Shape-based generative modeling for de novo drug design M Skalic, J Jiménez, D Sabbadin, G De Fabritiis Journal of chemical information and modeling 59 (3), 1205-1214, 2019 | 246 | 2019 |
| 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 | 192 | 2014 |
| Supervised molecular dynamics (SuMD) as a helpful tool to depict GPCR–ligand recognition pathway in a nanosecond time scale D Sabbadin, S Moro Journal of chemical information and modeling 54 (2), 372-376, 2014 | 150 | 2014 |
| From target to drug: generative modeling for the multimodal structure-based ligand design M Skalic, D Sabbadin, B Sattarov, S Sciabola, G De Fabritiis Molecular pharmaceutics 16 (10), 4282-4291, 2019 | 131 | 2019 |
| 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 |
| Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information S Paoletta, D Sabbadin, I Von Kügelgen, S Hinz, V Katritch, K Hoffmann, ... Journal of computer-aided molecular design 29, 737-756, 2015 | 58 | 2015 |
| 3-Hydroxy-1H-quinazoline-2, 4-dione derivatives as new antagonists at ionotropic glutamate receptors: Molecular modeling and pharmacological studies V Colotta, O Lenzi, D Catarzi, F Varano, L Squarcialupi, C Costagli, ... European journal of medicinal chemistry 54, 470-482, 2012 | 47 | 2012 |
| 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 |
| Cyclization of active methylene isocyanides with α-oxodithioesters induced by base: An expedient synthesis of 4-methylthio/ethoxycarbonyl-5-acylthiazoles KR Kiran, TR Swaroop, N Rajeev, SM Anil, KS Rangappa, MP Sadashiva Synthesis 52 (09), 1444-1450, 2020 | 41 | 2020 |
| Adenosiland: walking through adenosine receptors landscape M Floris, D Sabbadin, R Medda, A Bulfone, S Moro European journal of medicinal chemistry 58, 248-257, 2012 | 38 | 2012 |
| Insecticidal spider toxins are high affinity positive allosteric modulators of the nicotinic acetylcholine receptor C Chambers, P Cutler, YH Huang, JA Goodchild, J Blythe, CK Wang, ... FEBS letters 593 (12), 1336-1350, 2019 | 36 | 2019 |
| PathwayMap: molecular pathway association with self-normalizing neural networks J Jimenez, D Sabbadin, A Cuzzolin, G Martinez-Rosell, J Gora, ... Journal of chemical information and modeling 59 (3), 1172-1181, 2018 | 35 | 2018 |
| New insight into adenosine receptors selectivity derived from a novel series of [5-substituted-4-phenyl-1, 3-thiazol-2-yl] benzamides and furamides GS Inamdar, AN Pandya, HM Thakar, V Sudarsanam, S Kachler, ... European Journal of Medicinal Chemistry 63, 924-934, 2013 | 35 | 2013 |
| Computationally driven discovery of SARS-CoV-2 M pro inhibitors: from design to experimental validation L El Khoury, Z Jing, A Cuzzolin, A Deplano, D Loco, B Sattarov, F Hédin, ... Chemical science 13 (13), 3674-3687, 2022 | 33 | 2022 |
| Defining and exploiting hypersensitivity hotspots to facilitate abscisic acid agonist optimization D Elzinga, E Sternburg, D Sabbadin, M Bartsch, SY Park, A Vaidya, ... ACS chemical biology 14 (3), 332-336, 2019 | 26 | 2019 |
| Perturbation of Fluid Dynamics Properties of Water Molecules during G Protein-Coupled Receptor–Ligand Recognition: The Human A2A Adenosine Receptor as a … D Sabbadin, A Ciancetta, S Moro Journal of Chemical Information and Modeling 54 (10), 2846-2855, 2014 | 24 | 2014 |
| Molecular modelling studies on Arylthioindoles as potent inhibitors of tubulin polymerization A Coluccia, D Sabbadin, A Brancale European journal of medicinal chemistry 46 (8), 3519-3525, 2011 | 24 | 2011 |