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Equilibrium Ensembles for Insulin Folding from Bias-Exchange Metadynamics
Earliest events in the aggregation process, such as single molecule reconfiguration, are extremely important and the most difficult to characterize in experiments. To this end, we have used well-tempered bias exchange metadynamics simulations to determine the equilibrium ensembles of an insulin mole...
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| Publicado no: | Biophys J |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5406382/ https://ncbi.nlm.nih.gov/pubmed/28445749 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2017.03.015 |
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