Computational investigation of a ternary model of SnoN-SMAD3-SMAD4 complex

Mingfei Ji,Yelei Ding,Xiaolong Li,Ningfang Mao,Jie Chen

Computational Biology and Chemistry（2019）

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摘要

•A ternary model of SnoN-SMAD3-SMAD4 complex was obtained using MD simulations and molecular modeling methods.•The open form of SnoN exists in two, open and semi-closed, conformations.•This work can advance our understanding of the ternary SonN-SMAD3-SMAD4 complex in the regulation of TGFβ signaling pathway.

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关键词

Co-SMAD,GPU,MD,MM/GBSA,PPIs,RMSD,R-SMAD,SASA,TGFβ

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