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. 2019 May 24;59(6):2830–2836. doi: 10.1021/acs.jcim.9b00298

Figure 3.

Figure 3

Analysis of the conformations adopted by ZM241385 and LUF5452 in the binding pocket of A2aR and A1R over the unbiased MD simulation. Probability over the space defined by the RMSD of the common heavy atoms of the ligands to the conformation adopted in PDB 5IU4 or 3PWH, after alignment to the backbone of the proteins. TM7 not shown for clarity.