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Methods in Molecular Biology (Clifton, N.J.)|July 25, 2018
Pharmacophore Generation and 3D-QSAR Model Development Using PHASEEleni Vrontaki, Antonios KolocourisJournal of Medicinal Chemistry|September 11, 2019
Structural Characterization of Agonist Binding to an A<sub>3</sub> Adenosine Receptor through Biomolecular Simulations and Mutagenesis ExperimentsDimitrios Stamatis, Panagiotis Lagarias, Kerry Barkan, et al.Journal of Chemical Information and Modeling|November 15, 2019
Insights to the Binding of a Selective Adenosine A<sub>3</sub> Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and MutagenesisPanagiotis Lagarias, Kerry Barkan, Eva Tzortzini, et al.Scientific Reports|November 28, 2020
Pharmacological characterisation of novel adenosine A<sub>3</sub> receptor antagonistsKerry Barkan, Panagiotis Lagarias, Margarita Stampelou, et al.Journal of Chemical Information and Modeling|February 28, 2018
Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding ModePanagiotis Lagarias, Eleni Vrontaki, George Lambrinidis, et al.The Journal of Organic Chemistry|February 13, 2009
C-H(ax)...Y(ax) contacts in cyclohexane derivatives revisited-identification of improper hydrogen-bonded contactsAntonios KolocourisBiochimica Et Biophysica Acta. Biomembranes|October 18, 2024
Conformational heterogeneity and structural features for function of the prototype viroporin influenza AM2Kyriakos Georgiou, Antonios KolocourisACS Pharmacology & Translational Science|November 20, 2025
Conformational Heterogeneity Underlying Divergent Signaling in Class A G Protein-Coupled ReceptorsKyriakos Georgiou, Antonios KolocourisBiomolecules|June 28, 2023
Molecular Biophysics of Class A G Protein Coupled Receptors-Lipids Interactome at a Glance-Highlights from the A<sub>2A</sub> Adenosine ReceptorEfpraxia Tzortzini, Antonios KolocourisJournal of Chemical Information and Modeling|July 14, 2026
Pharmacon: A Molecular Dynamics Simulation Analysis ToolkitKyriakos Georgiou, Antonios KolocourisPageof 10