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Force-Field Dependence of Chignolin Folding and Misfolding: Comparison with Experiment and Redesign
We study the folding of the designed hairpin chignolin, using simulations with four different force fields. Interestingly, we find a misfolded, out-of-register, structure comprising 20–50% of the ordered structures with three force fields, but not with a fourth. A defining feature of the misfold is...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3328722/ https://ncbi.nlm.nih.gov/pubmed/22768946 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2012.03.024 |
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