Sfoglia per Autore
A new inactive conformation of SARS-CoV-2 main protease
2022 Fornasier, Emanuele; Macchia, Maria Ludovica; Giachin, Gabriele; Sosic, Alice; Pavan, Matteo; Sturlese, Mattia; Salata, Cristiano; Moro, Stefano; Gatto, Barbara; Bellanda, Massimo; Battistutta, Roberto
The Effect of C-Phycocyanin on Microglia Activation Is Mediated by Toll-like Receptor 4
2022 Piovan, A.; Filippini, R.; Argentini, C.; Moro, S.; Giusti, P.; Zusso, M.
Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation
2022 El Khoury, Léa; Jing, Zhifeng; Cuzzolin, Alberto; Deplano, Alessandro; Loco, Daniele; Sattarov, Boris; Hédin, Florent; Wendeborn, Sebastian; Ho, Chris; El Ahdab, Dina; Jaffrelot-Inizan, Theo; Sturlese, M; Sosic, Alice; Volpiana, Martina; Lugato, Angela; Barone, Marco; Gatto, Barbara; Macchia, Maria Ludovica.; Bellanda, M; Battistutta, Roberto; Salata, Cristiano; Kondratov, Ivan; Iminov, Rustan; Khairulin, Andrii; Mykhalonok, Yaroslav; Pochepko, Anton; Chashka-Ratushnyi, Volodymyr; Kos, Iaroslava; Moro, Stefano; Montes, Matthieu; Ren, Pengyu; Ponder, Jay W.; Lagardère, Louis; Piquemal, Jean-Philip; Sabbadin, Davide
Omicron Variant of SARS-CoV-2 Virus: In Silico Evaluation of the Possible Impact on People Affected by Diabetes Mellitus
2022 Bassani, Davide; Ragazzi, Eugenio; Lapolla, Annunziata; Sartore, Giovanni; Moro, Stefano
HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR
2021 Ferrari, Francesca; Bissaro, Maicol; Fabbian, Simone; De Almeida Roger, Jessica; Mammi, Stefano; Moro, Stefano; Bellanda, Massimo; Sturlese, Mattia
In silico evaluation of the interaction between ACE2 and SARS-CoV-2 Spike protein in a hyperglycemic environment
2021 Sartore, G.; Bassani, D.; Ragazzi, E.; Traldi, P.; Lapolla, A.; Moro, S.
Inspecting the Mechanism of Fragment Hits Binding on SARS‐CoV‐2 M pro by Using Supervised Molecular Dynamics (SuMD) Simulations
2021 Bissaro, Maicol; Bolcato, Giovanni; Pavan, Matteo; Bassani, Davide; Sturlese, Mattia; Moro, Stefano
Developing novel classes of protein kinase CK1δ inhibitors by fusing [1,2,4]triazole with different bicyclic heteroaromatic systems
2021 Grieco, I.; Bissaro, M.; Tiz, D. B.; Perez, D. I.; Perez, C.; Martinez, A.; Redenti, S.; Mariotto, E.; Bortolozzi, R.; Viola, G.; Cozza, G.; Spalluto, G.; Moro, S.; Federico, S.
Amphiphilic peptide-based MMP3 inhibitors for intra-articular treatment of knee OA
2021 Guarise, C.; Ceradini, D.; Tessari, M.; Pavan, M.; Moro, S.; Salmaso, V.; Barbera, C.; Beninatto, R.; Galesso, D.
Shedding Light on the Molecular Recognition of Sub-Kilodalton Macrocyclic Peptides on Thrombin by Supervised Molecular Dynamics
2021 Hassankalhori, Mahdi; Bolcato, Giovanni; Bissaro, Maicol; Sturlese, Mattia; Moro, Stefano
Pyridazinones containing dithiocarbamoyl moieties as a new class of selective MAO-B inhibitors
2021 Besada, P.; Vina, D.; Costas, T.; Costas-Lago, M. C.; Vila, N.; Torres-Teran, I.; Sturlese, M.; Moro, S.; Teran, C.
A Computational Workflow for the Identification of Novel Fragments Acting as Inhibitors of the Activity of Protein Kinase CK1δ
2021 Bolcato, Giovanni; Cescon, Eleonora; Pavan, Matteo; Bissaro, Maicol; Bassani, Davide; Federico, Stephanie; Spalluto, Giampiero; Sturlese, Mattia; Moro, Stefano
Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332
2021 Pavan, Matteo; Bolcato, Giovanni; Bassani, Davide; Sturlese, Mattia; Moro, Stefano
On The Mechanism Of Tumor Cell Entry Of Aloe-Emodin, A Natural Compound Endowed With Anticancer Activity
2021 Pecere, Teresa; Ponterio, Eleonora; DI IORIO, MARIO VINCENZO; Carli, MODESTO OTTAVIANO; Fassan, Matteo; Santoro, Luisa; Bissaro, Maicol; Bernabe', Giulia; Moro, Stefano; Castagliuolo, Ignazio; Palu', Giorgio
A High-Throughput Screening Identifies MICU1 Targeting Compounds
2020 Di Marco, Giulia; Vallese, Francesca; Jourde, Benjamin; Bergsdorf, Christian; Sturlese, Mattia; De Mario, Agnese; Techer-Etienne, Valerie; Haasen, Dorothea; Oberhauser, Berndt; Schleeger, Simone; Minetti, Giulia; Moro, Stefano; Rizzuto, Rosario; De Stefani, Diego; Fornaro, Mara; Mammucari, Cristina
A deep-learning approach toward rational molecular docking protocol selection
2020 Jimenez-Luna, J.; Cuzzolin, A.; Bolcato, G.; Sturlese, M.; Moro, S.
Novel coumarin-pyridazine hybrids as selective MAO-B inhibitors for the Parkinson’s disease therapy
2020 Rodríguez-Enríquez, Fernanda; Carmen Costas-Lago, María; Besada, Pedro; Alonso-Pena, Miguel; Torres-Terán, Iria; Viña, Dolores; Angel Fontenla, José; Sturlese, Mattia; Moro, Stefano; Quezada, Elias; Terán, Carmen
New insights into key determinants for adenosine 1 receptor antagonists selectivity using supervised molecular dynamics simulations
2020 Bolcato, G.; Bissaro, M.; Deganutti, G.; Sturlese, M.; Moro, S.
Scaffold Repurposing of in-House Chemical Library toward the Identification of New Casein Kinase 1 δinhibitors
2020 Cescon, E.; Bolcato, G.; Federico, Stephanie; Bissaro, M.; Valentini, A.; Ferlin, M. G.; Spalluto, G.; Sturlese, M.; Moro, S.
Editorial: Neuroinflammation and Its Resolution: From Molecular Mechanisms to Therapeutic Perspectives
2020 Zusso, M.; Stokes, L.; Moro, S.; Giusti, P.
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