Sfoglia per Autore
A deep-learning approach toward rational molecular docking protocol selection
2020 Jimenez-Luna, J.; Cuzzolin, A.; Bolcato, 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.
Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics Approach
2019 Palazzotti, Deborah; Bissaro, Maicol; Bolcato, Giovanni; Astolfi, Andrea; Felicetti, Tommaso; Sabatini, Stefano; Sturlese, Mattia; Cecchetti, Violetta; Barreca, Maria Letizia; Moro, Stefano
Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database
2019 Bolcato, Giovanni; Cuzzolin, Alberto; Bissaro, Maicol; Moro, Stefano; Sturlese, Mattia
Evaluating the effects of fluorine on biological properties and metabolic stability of some antitubulin 3-substituted 7-phenyl-pyrroloquinolinones
2019 Bortolozzi, R.; Carta, D.; Dal Pra, M.; Antoniazzi, G.; Mattiuzzo, E.; Sturlese, M.; Di Paolo, V.; Calderan, L.; Moro, S.; Hamel, E.; Quintieri, L.; Ronca, R.; Viola, G.; Ferlin, M. G.
Coupling Supervised Molecular Dynamics (SuMD) with Entropy Estimations To Shine Light on the Stability of Multiple Binding Sites
2019 Panday, SHAILESH KUMAR; Sturlese, Mattia; Salmaso, Veronica; Ghosh, Indira; Moro, Stefano
Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations
2019 Bissaro, Maicol; Bolcato, Giovanni; Deganutti, Giuseppe; Sturlese, Mattia; Moro, Stefano
Synthesis and preliminary structure-activity relationship study of 2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1 (Chk1) inhibitors
2018 Malvacio, Ivana; Cuzzolin, Alberto; Sturlese, Mattia; Vera, D. Mariano A.; Moyano, E. Laura; Moro, Stefano
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?
2018 Bissaro, Maicol; Federico, Stephanie; Salmaso, Veronica; Sturlese, Mattia; Spalluto, Giampiero; Moro, Stefano
Polyamine-based thiols in Trypanosomatids: evolution, protein structural adaptations and biological functions
2018 Manta, Bruno; Bonilla, Mariana; Fiestas, Lucía; Sturlese, Mattia; Salinas, Gustavo; Bellanda, Massimo; Comini, Marcelo A.
Binding mode of AIF(370–394) peptide to CypA: insights from NMR, label-free and molecular docking studies
2018 Farina, Biancamaria; Sturlese, Mattia; Mascanzoni, Fabiola; Caporale, Andrea; Monti, Alessandra; Di Sorbo, Gianluigi; Fattorusso, Roberto; Ruvo, Menotti; Doti, Nunzianna
AquaMMapS: an alternative tool to monitor the role of water molecules during protein-ligand association
2018 Cuzzolin, Alberto; Deganutti, Giuseppe; Salmaso, Veronica; Sturlese, Mattia; Moro, Stefano
Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs
2018 Bortolozzi, Roberta; Mattiuzzo, Elena; Dal Pra, Matteo; Sturlese, Mattia; Moro, Stefano; Hamel, Ernest; Carta, Davide; Viola, Giampietro; Ferlin, Maria Grazia
Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2
2018 Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano
Supervised Molecular Dynamics (SuMD) Approaches in Drug Design
2018 Sabbadin, Davide; Salmaso, Veronica; Sturlese, Mattia; Moro, Stefano
The lineage-specific, intrinsically disordered N-terminal extension of monothiol glutaredoxin 1 from trypanosomes contains a regulatory region
2018 Sturlese, Mattia; Manta, Bruno; Bertarello, Andrea; Bonilla, Mariana; Lelli, Moreno; Zambelli, Barbara; Grunberg, Karin; Mammi, Stefano; Comini, Marcelo A.; Bellanda, Massimo
Exploring Protein-Peptide Recognition Pathways Using a Supervised Molecular Dynamics Approach
2017 Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano
Synthesis, structure-activity relationships and biological evaluation of 7-phenyl-pyrroloquinolinone 3-amide derivatives as potent antimitotic agents
2017 Carta, Davide; Bortolozzi, Roberta; Sturlese, Mattia; Salmaso, Veronica; Hamel, Ernest; Basso, Giuseppe; Calderan, Laura; Quintieri, Luigi; Moro, Stefano; Viola, Giampietro; Ferlin, MARIA GRAZIA
A molecular dynamics strategy for CSαβ peptides disulfide-assisted model refinement
2017 Franzoi, Marco; Sturlese, Mattia; Bellanda, Massimo; Mammi, Stefano
Sulfonamido-derivatives of unsubstituted carbazoles as BACE1 inhibitors
2017 Bertini, Simone; Ghilardi, Elisa; Asso, Valentina; Minutolo, Filippo; Rapposelli, Simona; Digiacomo, Maria; Saccomanni, Giuseppe; Salmaso, Veronica; Sturlese, Mattia; Moro, Stefano; Macchia, Marco; Manera, Clementina
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