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 LagariasKerry BarkanEva TzortziniMargarita StampelouEleni VrontakiGraham LaddsAntonios KolocourisPublished in: J. Chem. Inf. Model. (2019)