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. Author manuscript; available in PMC: 2019 Apr 10.
Published in final edited form as: J Chem Inf Model. 2019 Jan 16;59(1):373–385. doi: 10.1021/acs.jcim.8b00583

Figure 2.

Figure 2.

(A) Representative conformational ensembles from 1 μs MDS of AngII bound AT1R. (B) Superimposed structure of AT1R-AngII and ETBR-Endothelin. Superimposed structure of AT1R-AngII (from MDS) and AT1R-Olmesartan (crystal structure) bound states showing transmembrane view (C), extra-cellular view (D), and intra-cellular view (E).