Mechanism of Guanosine Triphosphate Hydrolysis by the Visual Proteins Arl3-RP2: Free Energy Reaction Profiles Computed with Ab Initio Type QM/MM Potentials

We report the results of calculations of the Gibbs energy profiles of the guanosine triphosphate (GTP) hydrolysis by the Arl3-RP2 protein complex using molecular dynamics (MD) simulations with ab initio type QM/MM potentials. The chemical reaction of GTP hydrolysis to guanosine diphosphate (GDP) and...

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Detalles Bibliográficos
Autores principales: Khrenova, Maria G., Bulavko, Egor S., Mulashkin, Fedor D., Nemukhin, Alexander V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8271468/
https://www.ncbi.nlm.nih.gov/pubmed/34208932
http://dx.doi.org/10.3390/molecules26133998

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8271468/
https://www.ncbi.nlm.nih.gov/pubmed/34208932
http://dx.doi.org/10.3390/molecules26133998

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