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The Role of Gln(61) in HRas GTP Hydrolysis: A Quantum Mechanics/Molecular Mechanics Study
Activation of the water molecule involved in GTP hydrolysis within the HRas⋅RasGAP system is analyzed using a tailored approach based on hybrid quantum mechanics/molecular mechanics (QM/MM) simulation. A new path emerges: transfer of a proton from the attacking water molecule to a second water molec...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3250681/ https://ncbi.nlm.nih.gov/pubmed/22225809 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2011.11.4005 |
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