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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.
Lagarias P, Barkan K, Tzortzini E, Stampelou M, Vrontaki E, Ladds G, Kolocouris A. Lagarias P, et al. Among authors: tzortzini e. J Chem Inf Model. 2020 Apr 27;60(4):2405-2406. doi: 10.1021/acs.jcim.0c00240. Epub 2020 Mar 25. J Chem Inf Model. 2020. PMID: 32208618 No abstract available.
Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure-Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations.
Stampelou M, Suchankova A, Tzortzini E, Dhingra L, Barkan K, Lougiakis N, Marakos P, Pouli N, Ladds G, Kolocouris A. Stampelou M, et al. Among authors: tzortzini e. J Med Chem. 2022 Oct 13;65(19):13305-13327. doi: 10.1021/acs.jmedchem.2c01123. Epub 2022 Sep 29. J Med Chem. 2022. PMID: 36173355
Investigation of Tumor Cells and Receptor-Ligand Simulation Models for the Development of PET Imaging Probes Targeting PSMA and GRPR and a Possible Crosstalk between the Two Receptors.
Liolios C, Patsis C, Lambrinidis G, Tzortzini E, Roscher M, Bauder-Wüst U, Kolocouris A, Kopka K. Liolios C, et al. Among authors: tzortzini e. Mol Pharm. 2022 Jul 4;19(7):2231-2247. doi: 10.1021/acs.molpharmaceut.2c00070. Epub 2022 Apr 25. Mol Pharm. 2022. PMID: 35467350