Rethinking to riluzole mechanism of action: the molecular link among protein kinase CK1δ activity, TDP-43 phosphorylation, and amyotrophic lateral sclerosis pharmacological treatme...

by Maicol Bissaro, Stefano Moro
Published 2019-01-01

A Comparison in the Use of the Crystallographic Structure of the Human A₁ or the A_2A Adenosine Receptors as a Template for the Construction of a Homology Mode...

by Enrico Margiotta, Stefano Moro
Published 2019-02-01

Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview

by Veronica Salmaso, Stefano Moro
Published 2018-08-01

Exploring the RNA-Recognition Mechanism Using Supervised Molecular Dynamics (SuMD) Simulations: Toward a Rational Design for Ribonucleic-Targeting Molecules?

by Maicol Bissaro, Mattia Sturlese, Stefano Moro
Published 2020-02-01

Comparing Fragment Binding PosesPrediction Using HSP90 as a Key Study: When Bound Water Makes the Difference

by Giovanni Bolcato, Maicol Bissaro, Mattia Sturlese, Stefano Moro
Published 2020-10-01

Editorial: Neuroinflammation and Its Resolution: From Molecular Mechanisms to Therapeutic Perspectives

by Morena Zusso, Leanne Stokes, Stefano Moro, Pietro Giusti
Published 2020-04-01

Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332

by Matteo Pavan, Giovanni Bolcato, Davide Bassani, Mattia Sturlese, Stefano Moro
Published 2021-01-01

New Insights into Key Determinants for Adenosine 1 Receptor Antagonists Selectivity Using Supervised Molecular Dynamics Simulations

by Giovanni Bolcato, Maicol Bissaro, Giuseppe Deganutti, Mattia Sturlese, Stefano Moro
Published 2020-05-01

Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A_2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD)...

by Maicol Bissaro, Giovanni Bolcato, Giuseppe Deganutti, Mattia Sturlese, Stefano Moro
Published 2019-07-01

DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations

by Alberto Cuzzolin, Mattia Sturlese, Ivana Malvacio, Antonella Ciancetta, Stefano Moro
Published 2015-05-01

Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database

by Giovanni Bolcato, Alberto Cuzzolin, Maicol Bissaro, Stefano Moro, Mattia Sturlese
Published 2019-07-01

Shedding Light on the Molecular Recognition of Sub-Kilodalton Macrocyclic Peptides on Thrombin by Supervised Molecular Dynamics

by Mahdi Hassankalhori, Giovanni Bolcato, Maicol Bissaro, Mattia Sturlese, Stefano Moro
Published 2021-08-01

A Deep-Learning Approach toward Rational Molecular Docking Protocol Selection

by José Jiménez-Luna, Alberto Cuzzolin, Giovanni Bolcato, Mattia Sturlese, Stefano Moro
Published 2020-05-01

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

by Ivana Malvacio, Alberto Cuzzolin, Mattia Sturlese, D. Mariano A. Vera, E. Laura Moyano, Stefano Moro
Published 2018-01-01

Genetic and environmental effects on a meat spotting defect in seasoned dry-cured ham

by Giulio Pagnacco, Alessandra Stella, Rita Rizzi, Valentino Bontempo, Vittorio Moretti, Silvana Arrighi, Gian Luigi Restelli, Stefano Moro
Published 2011-01-01

HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR

by Francesca Ferrari, Maicol Bissaro, Simone Fabbian, Jessica De Almeida Roger, Stefano Mammi, Stefano Moro, Massimo Bellanda, Mattia Sturlese
Published 2021-01-01

A Computational Workflow for the Identification of Novel Fragments Acting as Inhibitors of the Activity of Protein Kinase CK1δ

by Giovanni Bolcato, Eleonora Cescon, Matteo Pavan, Maicol Bissaro, Davide Bassani, Stephanie Federico, Giampiero Spalluto, Mattia Sturlese, Stefano Moro
Published 2021-09-01

Ciprofloxacin and levofloxacin attenuate microglia inflammatory response via TLR4/NF-kB pathway

by Morena Zusso, Valentina Lunardi, Davide Franceschini, Andrea Pagetta, Rita Lo, Stefano Stifani, Anna Chiara Frigo, Pietro Giusti, Stefano Moro
Published 2019-07-01

The Influence of the 1-(3-Trifluoromethyl-Benzyl)-1H-Pyrazole-4-yl Moiety on the Adenosine Receptors Affinity Profile of Pyrazolo[4,3-e][1,2,4]Triazolo[1,5-c]Pyrimidine Derivatives...

by Stephanie Federico, Sara Redenti, Mattia Sturlese, Antonella Ciancetta, Sonja Kachler, Karl-Norbert Klotz, Barbara Cacciari, Stefano Moro, Giampiero Spalluto
Published 2015-01-01

Deciphering the Molecular Recognition Mechanism of Multidrug Resistance <i>Staphylococcus aureus</i> NorA Efflux Pump Using a Supervised Molecular Dynamics Approach

by Deborah Palazzotti, Maicol Bissaro, Giovanni Bolcato, Andrea Astolfi, Tommaso Felicetti, Stefano Sabatini, Mattia Sturlese, Violetta Cecchetti, Maria Letizia Barreca, Stefano Moro
Published 2019-08-01