Antonios Kolocouris
Orcid: 0000-0001-6110-1903
According to our database1,
Antonios Kolocouris
authored at least 12 papers
between 2016 and 2023.
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Bibliography
2023
Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.
J. Comput. Aided Mol. Des., December, 2023
Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.
J. Comput. Aided Mol. Des., December, 2023
Study of SQ109 analogs binding to mycobacterium MmpL3 transporter using MD simulations and alchemical relative binding free energy calculations.
J. Comput. Aided Mol. Des., June, 2023
Comparative Study of Receptor-, Receptor State-, and Membrane-Dependent Cholesterol Binding Sites in A<sub>2A</sub> and A<sub>1</sub> Adenosine Receptors Using Coarse-Grained Molecular Dynamics Simulations.
J. Chem. Inf. Model., February, 2023
2021
Inside and Out of the Pore: Comparing Interactions and Molecular Dynamics of Influenza A M2 Viroporin Complexes in Standard Lipid Bilayers.
J. Chem. Inf. Model., 2021
2020
Correction to Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis.
J. Chem. Inf. Model., 2020
The balance between side-chain and backbone-driven association in folding of the α-helical influenza A transmembrane peptide.
J. Comput. Chem., 2020
2019
Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis.
J. Chem. Inf. Model., 2019
2018
Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode.
J. Chem. Inf. Model., 2018
2016
Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM.
J. Chem. Inf. Model., 2016
Interpreting Thermodynamic Profiles of Aminoadamantane Compounds Inhibiting the M2 Proton Channel of Influenza A by Free Energy Calculations.
J. Chem. Inf. Model., 2016
Assessing the attractive/repulsive force balance in axial cyclohexane C-H<sub>ax</sub>···Y<sub>ax</sub> contacts: A combined computational analysis in monosubstituted cyclohexanes.
J. Comput. Chem., 2016