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Article

Understanding the conformation transition in the activation pathway of β2 adrenergic receptor via a targeted molecular dynamics simulation.

Physical chemistry chemical physics : PCCP - 28 Jan 2015

Xiao Xiuchan, Zeng Xiaojun, Yuan Yuan, Gao Nan, Guo Yanzhi, Pu Xuemei, Li Menglong

Abstract excerpt

G protein coupled receptors (GPCRs) play a crucial role in regulating signal recognition and transduction through their activation. The conformation transition in the activation pathway is of particular importance for their function. However, it has been poorly elucidated due to experimental difficulties in determining the conformations and the time limitation of conventional molecular dynamics (CMD) simulation....

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PMID: 25494239
DOI: 10.1039/c4cp04528a

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