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. Author manuscript; available in PMC: 2022 Dec 22.
Published in final edited form as: J Chem Theory Comput. 2022 Feb 24;18(3):1423–1436. doi: 10.1021/acs.jctc.1c01055

Figure 2. Demonstration of GLOW on characterization of GPCR activation using adenosine A1 receptor (A1AR) as a model system.

Figure 2.

(A) Classification of different A1AR systems bound by the “Antagonist”, “Agonist” and “Agonist – Gi”. (B-D) Saliency (attention) maps of residue contact gradients of the A1AR bound by (B) “Antagonist”, (C) “Agonist” and (D) “Agonist – Gi”. The seven transmembrane helices are labeled from I to VII. The gradient of each residue contact is shown in a 0.15 (blue) to 0.45 (red) color scale.