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The combined force field-sampling problem in simulations of disordered amyloid-β peptides
Molecular dynamics simulations of intrinsically disordered proteins (IDPs) can provide high resolution structural ensembles if the force field is accurate enough and if the simulation sufficiently samples the conformational space of the IDP with the correct weighting of sub-populations. Here, we inv...
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| Veröffentlicht in: | J Chem Phys |
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| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
AIP Publishing LLC
2019
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6417907/ https://ncbi.nlm.nih.gov/pubmed/30876367 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5078615 |
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