CUZZOLIN, ALBERTO
CUZZOLIN, ALBERTO
Dipartimento di Scienze del Farmaco - DSF
A deep-learning approach toward rational molecular docking protocol selection
2020 Jimenez-Luna, J.; Cuzzolin, A.; Bolcato, G.; Sturlese, M.; Moro, S.
ALK Kinase Domain Mutations in Primary Anaplastic Large Cell Lymphoma: Consequences on NPM-ALK Activity and Sensitivity to Tyrosine Kinase Inhibitors.
2015 Lovisa, Federica; Cozza, Giorgio; Cristiani, A; Cuzzolin, Alberto; Albiero, A; Mussolin, Lara; Pillon, Marta; Moro, Stefano; Basso, Giuseppe; Rosolen, Angelo; Bonvini, Paolo
Alternative quality assessment strategy to compare performances of GPCR-ligand docking protocols: the human adenosine A(2A) receptor as a case study.
2014 Ciancetta, Antonella; Cuzzolin, Alberto; Moro, Stefano
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
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
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
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
Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations
2016 Cuzzolin, Alberto; Sturlese, Mattia; Deganutti, Giuseppe; Salmaso, Veronica; Sabbadin, Davide; Ciancetta, Antonella; Moro, Stefano
DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015
2016 Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano
DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations
2015 Cuzzolin, Alberto; Sturlese, Mattia; Malvacio, Ivana; Ciancetta, Antonella; Moro, Stefano
Exploring Protein-Peptide Recognition Pathways Using a Supervised Molecular Dynamics Approach
2017 Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano
Exploring the recognition pathway at the human A2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations
2015 Sabbadin, D.; Ciancetta, A.; Deganutti, G.; Cuzzolin, A.; Moro, S.
New Trends in Inspecting GPCR-ligand Recognition Process: the Contribution of the Molecular Modeling Section (MMS) at the University of Padova
2016 Ciancetta, Antonella; Cuzzolin, Alberto; Deganutti, Giuseppe; Sturlese, Mattia; Salmaso, Veronica; Cristiani, Andrea; Sabbadin, Davide; Moro, Stefano
Novel in silico approaches to depict the protein-ligand recognition events
2016 Cuzzolin, Alberto
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
Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive allosteric modulator LUF6000
2015 Deganutti, Giuseppe; Cuzzolin, Alberto; Ciancetta, Antonella; Moro, Stefano