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Universal Activation Index for Class A GPCRs

Ibrahim, Passainte ; Wifling, David ; Clark, Timothy



Zusammenfassung

An index of the activation of Class A G-protein-coupled receptors (GPCRs) has been trained using interhelix distances from a series of microsecond molecular-dynamics simulations and tested for 268 published X-ray structures. In a three-class model that includes intermediate structures, 63% of the active structures are classified in agreement with the experimental assignment, 81% of the ...

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