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Free Energy Profiles Relating With Conformational Transition of the Switch Domains Induced by G12 Mutations in GTP-Bound KRAS

Mutations of G12 in KRAS have been involved in different cancers. Multiple replica-Gaussian accelerated molecular dynamics (MR-GaMD) simulations are applied to investigate conformational changes of the switch domains caused by G12C, G12D and G12R. Free energy landscapes suggest that G12C, G12D and G...

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Detalles Bibliográficos
Autores principales:	Chen, Jianzhong, Zhang, Shaolong, Zeng, Qingkai, Wang, Wei, Zhang, Qinggang, Liu, Xinguo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Molecular Biosciences
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9108337/ https://www.ncbi.nlm.nih.gov/pubmed/35586192 http://dx.doi.org/10.3389/fmolb.2022.912518

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