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. 2016 May 10;44(Web Server issue):W455–W462. doi: 10.1093/nar/gkw403

Figure 3.

Figure 3.

Pair-distance restraints connecting the TM helices. (A) Schematic representation, adapted from ref. (18). (B) 3D representation of the pair-distance restraints applied to the molecular dynamics (MD) equilibration of the Adenosine A2A receptor in complex with caffeine, on five snapshots extracted every 0.5 ns. (C) The RMSD evolution of the A2A receptor along this MD equilibration, with the structures extracted every 0.1 ns superimposed as an inset.