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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| Published in: | Proc Natl Acad Sci U S A |
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| Main Authors: | , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
National Academy of Sciences
2002
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC124469/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/11983864/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.092686399 |
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