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A One-Dimensional Reaction Coordinate for Identification of Transition States from Explicit Solvent P(fold)-Like Calculations
A properly identified transition state ensemble (TSE) in a molecular dynamics (MD) simulation can reveal a tremendous amount about how a protein folds and offer a point of comparison to experimentally derived Φ(F) values, which reflect the degree of structure in these transient states. In one such m...
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| Auteurs principaux: | , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
The Biophysical Society
2007
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2072083/ https://ncbi.nlm.nih.gov/pubmed/17978165 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.100149 |
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