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Article

Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics.

Physical chemistry chemical physics : PCCP - 30 Sept 2020

Chen Jianzhong, Wang Wei, Pang Laixue, Zhu Weiliang

Abstract excerpt

Uncovering molecular basis with regard to the conformational change of two switches I and II in the GppNHp (GNP)-bound H-Ras is highly significant for the understanding of Ras signaling. For this purpose, accelerated molecular dynamics (aMD) simulations and principal component (PC) analysis are integrated to probe the effect of mutations G12V, T35S and Q61K on conformational transformation between two switches of...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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PMID: 32930679
DOI: 10.1039/d0cp03766d

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