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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 KolocourisMethods in Molecular Biology (Clifton, N.J.)|July 25, 2018
Pharmacophore Generation and 3D-QSAR Model Development Using PHASEEleni Vrontaki, 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 KolocourisBioorganic & Medicinal Chemistry Letters|November 22, 2002
A simple and rapid method for the differentiation of C-13 manoyl oxide epimers in biologically important samples using GC-MS analysis supported with NMR spectroscopy and computational chemistry resultsCostas Demetzos, Antonios Kolocouris, Thalia AnastasakiThe Journal of Physical Chemistry. B|January 18, 2024
Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the Unresolved Inactive Human Adenosine A<sub>3</sub> ReceptorMargarita Stampelou, Graham Ladds, Antonios KolocourisJournal of Structural Biology: X|March 10, 2025
Molecular biophysics and inhibition mechanism of influenza virus A M2 viroporin by adamantane-based drugs - Challenges in designing antiviral agentsKyriakos Georgiou, Dimitrios Kolokouris, Antonios KolocourisPhysical Chemistry Chemical Physics : PCCP|October 14, 2022
A proof-of-concept study of the secondary structure of influenza A, B M2 and MERS- and SARS-CoV E transmembrane peptides using folding molecular dynamics simulations in a membrane mimetic solventAntonios Kolocouris, Isaiah Arkin, Nicholas M GlykosPageof 9