| 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 |
| 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 |
| 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 |
| A Triazolotriazine‐Based Dual GSK‐3β/CK‐1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition S Redenti, I Marcovich, T De Vita, C Pérez, R De Zorzi, N Demitri, ... ChemMedChem 14 (3), 310-314, 2019 | 30 | 2019 |
| Rethinking to riluzole mechanism of action: The molecular link among protein kinase CK1δ activity, TDP-43 phosphorylation, and amyotrophic lateral sclerosis pharmacological … M Bissaro, S Moro Neural Regeneration Research 14 (12), 2083-2085, 2019 | 28 | 2019 |
| Can we still trust docking results? An extension of the applicability of DockBench on PDBbind database G Bolcato, A Cuzzolin, M Bissaro, S Moro, M Sturlese International journal of molecular sciences 20 (14), 3558, 2019 | 24 | 2019 |
| Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics … D Palazzotti, M Bissaro, G Bolcato, A Astolfi, T Felicetti, S Sabatini, ... International journal of molecular sciences 20 (16), 4041, 2019 | 23 | 2019 |
| Exploring the RNA-recognition mechanism using supervised molecular dynamics (SuMD) simulations: toward a rational design for ribonucleic-targeting molecules? M Bissaro, M Sturlese, S Moro Frontiers in Chemistry 8, 107, 2020 | 21 | 2020 |
| A computational workflow for the identification of novel fragments acting as inhibitors of the activity of protein kinase CK1δ G Bolcato, E Cescon, M Pavan, M Bissaro, D Bassani, S Federico, ... International Journal of Molecular Sciences 22 (18), 9741, 2021 | 18 | 2021 |
| Front Cover: Inspecting the Mechanism of Fragment Hits Binding on SARS‐CoV‐2 Mpro by Using Supervised Molecular Dynamics (SuMD) Simulations … M Bissaro, G Bolcato, M Pavan, D Bassani, M Sturlese, S Moro ChemMedChem 16 (13), 1996-1996, 2021 | 16* | 2021 |
| Developing novel classes of protein kinase CK1δ inhibitors by fusing [1, 2, 4] triazole with different bicyclic heteroaromatic systems I Grieco, M Bissaro, DB Tiz, DI Perez, C Perez, A Martinez, S Redenti, ... European Journal of Medicinal Chemistry 216, 113331, 2021 | 16 | 2021 |
| Scaffold Repurposing of in-House Chemical Library toward the Identification of New Casein Kinase 1 δ Inhibitors E Cescon, G Bolcato, S Federico, M Bissaro, A Valentini, MG Ferlin, ... ACS Medicinal Chemistry Letters 11 (6), 1168-1174, 2020 | 12 | 2020 |
| HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR F Ferrari, M Bissaro, S Fabbian, J de Almeida Roger, S Mammi, S Moro, ... Journal of Enzyme Inhibition and Medicinal Chemistry 36 (1), 1-14, 2021 | 10 | 2021 |
| Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A2A Adenosine Receptor: Insights from Supervised Molecular … M Bissaro, G Bolcato, G Deganutti, M Sturlese, S Moro Molecules 24 (15), 2752, 2019 | 9 | 2019 |
| Computational strategies to identify new drug candidates against neuroinflammation M Pavan, D Bassani, G Bolcato, M Bissaro, M Sturlese, S Moro Current Medicinal Chemistry 29 (27), 4756-4775, 2022 | 7 | 2022 |
| New insights into key determinants for adenosine 1 receptor antagonists selectivity using supervised molecular dynamics simulations G Bolcato, M Bissaro, G Deganutti, M Sturlese, S Moro Biomolecules 10 (5), 732, 2020 | 7 | 2020 |
| Shedding light on the molecular recognition of sub-kilodalton macrocyclic peptides on thrombin by supervised molecular dynamics M Hassankalhori, G Bolcato, M Bissaro, M Sturlese, S Moro Frontiers in Molecular Biosciences 8, 707661, 2021 | 6 | 2021 |
| Comparing fragment binding poses prediction using HSP90 as a key study: when bound water makes the difference G Bolcato, M Bissaro, M Sturlese, S Moro Molecules 25 (20), 4651, 2020 | 5 | 2020 |
| Riluzole–Rasagiline Hybrids: Toward the Development of Multi-Target-Directed Ligands for Amyotrophic Lateral Sclerosis C Albertini, A Salerno, S Atzeni, E Uliassi, F Massenzio, A Maruca, ... ACS Chemical Neuroscience 13 (15), 2252-2260, 2022 | 4 | 2022 |
| On the mechanism of tumor cell entry of aloe‐emodin, a natural compound endowed with anticancer activity T Pecere, E Ponterio, E Di Iorio, M Carli, M Fassan, L Santoro, M Bissaro, ... International Journal of Cancer 149 (5), 1129-1136, 2021 | 1 | 2021 |
Stefano MoroProfessor of Medicinal ChemistryVerified email at unipd.it
