BOLCATO, GIOVANNI
BOLCATO, GIOVANNI
Università di Padova
[1,2,4]Triazolo[1,5‐c]pyrimidines as Tools to Investigate A3 Adenosine Receptors in Cancer Cell Lines
2023 Federico, Stephanie; Persico, Margherita; Trevisan, Letizia; Biasinutto, Chiara; Bolcato, Giovanni; Salmaso, Veronica; Da Ros, Tatiana; Gianferrara, Teresa; Prencipe, Filippo; Kachler, Sonja; Klotz, Karl‐norbert; Pacor, Sabrina; Moro, Stefano; Spalluto, Giampiero
A Computational Workflow for the Identification of Novel Fragments Acting as Inhibitors of the Activity of Protein Kinase CK1 delta
2021 Bolcato, Giovanni; Cescon, Eleonora; Pavan, Matteo; Bissaro, Maicol; Bassani, Davide; Federico, Stephanie; Spalluto, Giampiero; Sturlese, Mattia; Moro, Stefano
A deep-learning approach toward rational molecular docking protocol selection
2020 Jimenez-Luna, J.; Cuzzolin, A.; Bolcato, G.; Sturlese, M.; Moro, S.
Are Two Riboses Better Than One? The Case of the Recognition and Activation of Adenosine Receptors
2023 Gianferrara, Teresa; Pavan, Matteo; Bassani, Davide; Vincenzi, Fabrizio; Pasquini, Silvia; Bolcato, Giovanni; Varani, Katia; Spalluto, Giampiero; Federico, Stephanie; 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
Combinare approcci tempo-dipendenti e tempo-indipendenti nella scoperta di farmaci
2022 Bolcato, Giovanni
Comparing fragment binding posesprediction using HSP90 as a key study: When bound water makes the difference
2020 Bolcato, G.; Bissaro, M.; Sturlese, M.; Moro, S.
Computational Strategies to Identify New Drug Candidates against Neuroinflammation
2022 Pavan, Matteo; Bassani, Davide; Bolcato, Giovanni; Bissaro, Maicol; Sturlese, Mattia; Moro, Stefano
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
Drugging the Undruggable Trypanosoma brucei Monothiol Glutaredoxin 1
2023 Favaro, Annagiulia; Bolcato, Giovanni; Comini, Marcelo A.; Moro, Stefano; Bellanda, Massimo; Sturlese, Mattia
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
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.
Re-Exploring the Ability of Common Docking Programs to Correctly Reproduce the Binding Modes of Non-Covalent Inhibitors of SARS-CoV-2 Protease Mpro
2022 Bassani, Davide; Pavan, Matteo; Bolcato, Giovanni; Sturlese, Mattia; 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
Ribose and Non-Ribose A2A Adenosine Receptor Agonists: Do They Share the Same Receptor Recognition Mechanism?
2022 Bolcato, Giovanni; Pavan, Matteo; Bassani, Davide; Sturlese, Mattia; Moro, Stefano
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.
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
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
Targeting the coronavirus SARS-CoV-2: computational insights into the mechanism of action of the protease inhibitors lopinavir, ritonavir and nelfinavir
2020 Bolcato, G.; Bissaro, M.; Pavan, M.; Sturlese, M.; Moro, S.