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Discovery of novel dual adenosine A₁/A_2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking

Table 5

Glide XP scores, RMSD_lig and MM-GBSA binding free energies of ligands C8 and C9 against A₁AR and A_2AAR.

doi: https://doi.org/10.1371/journal.pcbi.1008821.t005