"Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist ..."

Panagiotis Lagarias et al. (2019)

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DOI: 10.1021/ACS.JCIM.9B00751

access: closed

type: Journal Article

metadata version: 2023-09-08

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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): 5183-5197 (2019)

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