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Mechanical couplings of protein backbone and side chains exhibit scale-free network properties and specific hotspots for function
A backbone-side-chain elastic network model (bsENM) is devised in this contribution to decipher the network of molecular interactions during protein dynamics. The chemical details in 5 μs all-atom molecular dynamics (MD) simulation are mapped onto the bsENM spring constants by self-consistent iterat...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Research Network of Computational and Structural Biotechnology
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8554173/ https://www.ncbi.nlm.nih.gov/pubmed/34765086 http://dx.doi.org/10.1016/j.csbj.2021.09.004 |