| Molecular architecture and the structural basis for anion interaction in prestin and SLC26 transporters D Gorbunov, M Sturlese, F Nies, M Kluge, M Bellanda, R Battistutta, ... Nature communications 5 (1), 3622, 2014 | 94 | 2014 |
| MMsINC: a large-scale chemoinformatics database J Masciocchi, G Frau, M Fanton, M Sturlese, M Floris, L Pireddu, P Palla, ... Nucleic Acids Research 37 (suppl_1), D284-D290, 2009 | 92 | 2009 |
| Dopamine-derived quinones affect the structure of the redox sensor DJ-1 through modifications at Cys-106 and Cys-53 S Girotto, M Sturlese, M Bellanda, I Tessari, R Cappellini, M Bisaglia, ... Journal of Biological Chemistry 287 (22), 18738-18749, 2012 | 86 | 2012 |
| 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 | 84 | 2016 |
| Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332 M Pavan, G Bolcato, D Bassani, M Sturlese, S Moro Journal of Enzyme Inhibition and Medicinal Chemistry 36 (1), 1645-1649, 2021 | 71 | 2021 |
| Targeting the coronavirus SARS-CoV-2: computational insights into the mechanism of action of the protease inhibitors lopinavir, ritonavir and nelfinavir G Bolcato, M Bissaro, M Pavan, M Sturlese, S Moro Scientific reports 10 (1), 20927, 2020 | 63 | 2020 |
| A high-throughput screening identifies MICU1 targeting compounds G Di Marco, F Vallese, B Jourde, C Bergsdorf, M Sturlese, A De Mario, ... Cell reports 30 (7), 2321-2331. e6, 2020 | 62 | 2020 |
| Exploring protein-peptide recognition pathways using a supervised molecular dynamics approach V Salmaso, M Sturlese, A Cuzzolin, S Moro Structure 25 (4), 655-662. e2, 2017 | 60 | 2017 |
| SAR and QSAR study on 2-aminothiazole derivatives, modulators of transcriptional repression in Huntington’s disease S Leone, C Mutti, A Kazantsev, M Sturlese, S Moro, E Cattaneo, ... Bioorganic & medicinal chemistry 16 (10), 5695-5703, 2008 | 60 | 2008 |
| 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 | 52 | 2015 |
| The rise of molecular simulations in fragment-based drug design (FBDD): an overview M Bissaro, M Sturlese, S Moro Drug Discovery Today 25 (9), 1693-1701, 2020 | 48 | 2020 |
| Iron–sulfur cluster binding by mitochondrial monothiol glutaredoxin-1 of Trypanosoma brucei: molecular basis of iron–sulfur cluster coordination and relevance for parasite … B Manta, C Pavan, M Sturlese, A Medeiros, M Crispo, C Berndt, ... Antioxidants & redox signaling 19 (7), 665-682, 2013 | 48 | 2013 |
| Identification of a novel Mcl-1 protein binding motif WJ Placzek, M Sturlese, B Wu, JF Cellitti, J Wei, M Pellecchia Journal of Biological Chemistry 286 (46), 39829-39835, 2011 | 45 | 2011 |
| Identification of a novel Mcl-1 protein binding motif WJ Placzek, M Sturlese, B Wu, JF Cellitti, J Wei, M Pellecchia Journal of Biological Chemistry 286 (46), 39829-39835, 2011 | 45 | 2011 |
| Combining self-and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2 V Salmaso, M Sturlese, A Cuzzolin, S Moro Journal of computer-aided molecular design 32, 251-264, 2018 | 36 | 2018 |
| Polyamine-based thiols in trypanosomatids: evolution, protein structural adaptations, and biological functions B Manta, M Bonilla, L Fiestas, M Sturlese, G Salinas, M Bellanda, ... Antioxidants & Redox Signaling 28 (6), 463-486, 2018 | 33 | 2018 |
| Novel coumarin-pyridazine hybrids as selective MAO-B inhibitors for the Parkinson’s disease therapy F Rodriguez-Enriquez, MC Costas-Lago, P Besada, M Alonso-Pena, ... Bioorganic Chemistry 104, 104203, 2020 | 32 | 2020 |
| Targeting protein kinase CK1δ with riluzole: could it be one of the possible missing bricks to interpret its effect in the treatment of ALS from a molecular point of view? M Bissaro, S Federico, V Salmaso, M Sturlese, G Spalluto, S Moro ChemMedChem 13 (24), 2601-2605, 2018 | 32 | 2018 |
| AquaMMapS: an alternative tool to monitor the role of water molecules during protein–ligand association A Cuzzolin, G Deganutti, V Salmaso, M Sturlese, S Moro ChemMedChem 13 (6), 522-531, 2018 | 28 | 2018 |
| Synthesis, biological evaluation and molecular modeling studies of phthalazin-1 (2 H)-one derivatives as novel cholinesterase inhibitors N Vila, P Besada, D Viña, M Sturlese, S Moro, C Terán RSC advances 6 (52), 46170-46185, 2016 | 26 | 2016 |
Stefano MoroProfessor of Medicinal ChemistryBestätigte E-Mail-Adresse bei unipd.it
