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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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| Vydáno v: | Biophys J |
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| Hlavní autoři: | , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
The Biophysical Society
2017
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| Témata: | |
| On-line přístup: | 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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