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Publications by Eva Tzortzini
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
Related publications
Free Energy Calculations of A2A Adenosine Receptor Mutation Effects on Agonist Binding
Chemical Communications
Surfaces
Alloys
Materials Chemistry
Coatings
Metals
Optical
Magnetic Materials
Films
Catalysis
Chemistry
Electronic
Composites
Ceramics
Structural Insights Into the Subtype-Selective Antagonist Binding to the M2 Muscarinic Receptor
Biophysical Journal
Biophysics
Quantifying Protein-Protein Binding Energy and Entropy Using Molecular Dynamics Simulations
Biophysical Journal
Biophysics
GABA Binding to an Insect GABA Receptor: A Molecular Dynamics and Mutagenesis Study
Biophysical Journal
Biophysics
Selective Monocationic Inhibitors of Neuronal Nitric Oxide Synthase. Binding Mode Insights From Molecular Dynamics Simulations
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
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 Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method
