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Publications by Marco Catto
Insights Into the Complex Formed by Matrix Metalloproteinase-2 and Alloxan Inhibitors: Molecular Dynamics Simulations and Free Energy Calculations
PLoS ONE
Multidisciplinary
Discovery of Potent Dual Binding Site Acetylcholinesterase Inhibitors via Homo- And Heterodimerization of Coumarin-Based Moieties
ChemMedChem
Organic Chemistry
Molecular Medicine
Pharmacology
Biochemistry
Toxicology
Drug Discovery
Pharmaceutics
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Structural Insights Into the Osteopontin-Aptamer Complex by Molecular Dynamics Simulations
Frontiers in Chemistry
Chemistry
Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamics Simulations, Binding Free Energy Calculations and Mutagenesis
Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamics Simulations, Binding Free Energy Calculations and Mutagenesis
Structural Insight Into Inhibition of CsrA-RNA Interaction Revealed by Docking, Molecular Dynamics and Free Energy Calculations
Scientific Reports
Multidisciplinary
Probing Difference in Binding Modes of Inhibitors to MDMX by Molecular Dynamics Simulations and Different Free Energy Methods
PLoS ONE
Multidisciplinary
Analysis of Α4 Β1integrin Specific Antagonists Binding Modes: Structural Insights by Molecular Docking, Molecular Dynamics and Linear Interaction Energy Method for Free Energy Calculations
Journal of the Brazilian Chemical Society
Chemistry
Free Energy Calculations for Rings and Chains Formed by Dipolar Hard Spheres
Soft Matter
Chemistry
Condensed Matter Physics
The Molecular Perspective: Matrix Metalloproteinase 2
Oncologist
Cancer Research
Medicine
Oncology
Insights Into the Morphology of Multicomponent Organic and Inorganic Aerosols From Molecular Dynamics Simulations
Atmospheric Chemistry and Physics
Atmospheric Science
