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. - Panagiotis Lagarias; Kerry Barkan; Eva Tzortzini; Margarita Stampelou; Eleni Vrontaki; Graham Ladds; Antonios Kolocouris (J. Chem. Inf. Model., 2019)

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. - Panagiotis Lagarias; Kerry Barkan; Eva Tzortzini; Margarita Stampelou; Eleni Vrontaki; Graham Ladds; Antonios Kolocouris (J. Chem. Inf. Model., 2020)

Comparative Study of Receptor-, Receptor State-, and Membrane-Dependent Cholesterol Binding Sites in A2A and A1 Adenosine Receptors Using Coarse-Grained Molecular Dynamics Simulations. - Efpraxia Tzortzini; Robin A. Corey; Antonios Kolocouris (J. Chem. Inf. Model., 2023)