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Molecular dynamics simulations of protein folding from the transition state
Putative transition-state ensemble (TSE) conformations of src SH3 were identified by monitoring the deviation from the experimental φ values along molecular dynamics (MD) simulations of unfolding. Sixty MD trajectories (for a total of about 7 μs) were then started from the putative TSE. About one-ha...
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| Autores principales: | , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
The National Academy of Sciences
2002
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC124469/ https://ncbi.nlm.nih.gov/pubmed/11983864 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.092686399 |
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