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Using accelerated molecular dynamics simulation to shed light on the mechanism of activation/deactivation upon mutations for CCR5
In this work, accelerated molecular dynamics (aMD) simulations were used to study different effects of G286F and R126 mutations on the activity of CCR5. Potential of Mean Force (PMF) results indicate that there are stable inactive-like states and active-like ones existing in the conformation space o...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9089863/ https://www.ncbi.nlm.nih.gov/pubmed/35558583 http://dx.doi.org/10.1039/c8ra07686c |