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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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| Main Authors: | , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
National Academy of Sciences
2003
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC283518/ https://ncbi.nlm.nih.gov/pubmed/14623983 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.2335541100 |
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