Folding a protein in a computer: An atomic description of the folding/unfolding of protein A
We study the folding mechanism of a three-helix bundle protein at atomic resolution, including effects of explicit water. Using replica exchange molecular dynamics we perform enough sampling over a wide range of temperatures to obtain the free energy, entropy, and enthalpy surfaces as a function of...
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| Publicat a: | Proc Natl Acad Sci U S A |
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| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2003
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC283518/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/14623983/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.2335541100 |
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