Q61 mutant-mediated dynamics changes of the GTP-KRAS complex probed by Gaussian accelerated molecular dynamics and free energy landscapes

Understanding the molecular mechanism of the GTP-KRAS binding is significant for improving the target roles of KRAS in cancer treatment. In this work, multiple replica Gaussian accelerated molecular dynamics (MR-GaMD) simulations were applied to decode the effect of Q61A, Q61H and Q61L on the activi...

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Detalles Bibliográficos
Autores principales: Chen, Jianzhong, Zeng, Qingkai, Wang, Wei, Hu, Qingquan, Bao, Huayin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8978876/
https://www.ncbi.nlm.nih.gov/pubmed/35425180
http://dx.doi.org/10.1039/d1ra07936k

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8978876/
https://www.ncbi.nlm.nih.gov/pubmed/35425180
http://dx.doi.org/10.1039/d1ra07936k

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