Antonios Kolocouris

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 12

Top Topics

Tandem Mass Spectra

Protein Folding

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

J. Comput. Chem.

Publications

Ioannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A. Pantazis, Antonios Kolocouris
Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. J. Comput. Aided Mol. Des. 37 (12) (2023)
Efpraxia Tzortzini, Robin A. Corey, Antonios Kolocouris
Adenosine Receptors Using Coarse-Grained Molecular Dynamics Simulations. J. Chem. Inf. Model. 63 (3) (2023)
Ioannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A. Pantazis, Antonios Kolocouris
Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. J. Comput. Aided Mol. Des. 37 (12) (2023)
Marianna Stampolaki, Ioannis Stylianakis, Helen I. Zgurskaya, Antonios Kolocouris
Study of SQ109 analogs binding to mycobacterium MmpL3 transporter using MD simulations and alchemical relative binding free energy calculations. J. Comput. Aided Mol. Des. 37 (5) (2023)
Dimitrios Kolokouris, Iris E. Kalenderoglou, Antonios Kolocouris
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. 61 (11) (2021)
Panagiotis Lagarias, Kerry Barkan, Eva Tzortzini, Margarita Stampelou, Eleni Vrontaki, Graham Ladds, Antonios Kolocouris
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. 60 (4) (2020)
Ioannis Stylianakis, Ariella Shalev, Steve Scheiner, Michael P. Sigalas, Isaiah T. Arkin, Nicholas M. Glykos, Antonios Kolocouris
The balance between side-chain and backbone-driven association in folding of the α-helical influenza A transmembrane peptide. J. Comput. Chem. 41 (25) (2020)
Panagiotis Lagarias, Kerry Barkan, Eva Tzortzini, Margarita Stampelou, Eleni Vrontaki, Graham Ladds, Antonios Kolocouris
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. 59 (12) (2019)
Panagiotis Lagarias, Eleni Vrontaki, George Lambrinidis, Dimitrios Stamatis, Marino Convertino, Gabriella Ortore, Thomas M. Mavromoustakos, Karl Norbert Klotz, Antonios Kolocouris
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. 58 (4) (2018)
Carlos Silva López, Olalla Nieto Faza, Frank De Proft, Antonios Kolocouris
contacts: A combined computational analysis in monosubstituted cyclohexanes. J. Comput. Chem. 37 (30) (2016)
Harris Ioannidis, Antonios Drakopoulos, Christina Tzitzoglaki, Nadine Homeyer, Felix Kolarov, Paraskevi Gkeka, Kathrin Freudenberger, Christos Liolios, Günter Gauglitz, Zoe Cournia, Holger Gohlke, Antonios Kolocouris
Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM. J. Chem. Inf. Model. 56 (5) (2016)
Nadine Homeyer, Harris Ioannidis, Felix Kolarov, Günter Gauglitz, Christos Zikos, Antonios Kolocouris, Holger Gohlke
Interpreting Thermodynamic Profiles of Aminoadamantane Compounds Inhibiting the M2 Proton Channel of Influenza A by Free Energy Calculations. J. Chem. Inf. Model. 56 (1) (2016)