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Is the Conformational Ensemble of Alzheimer’s Aβ10-40 Peptide Force Field Dependent?
By applying REMD simulations we have performed comparative analysis of the conformational ensembles of amino-truncated Aβ10-40 peptide produced with five force fields, which combine four protein parameterizations (CHARMM36, CHARMM22*, CHARMM22/cmap, and OPLS-AA) and two water models (standard and mo...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5279813/ https://www.ncbi.nlm.nih.gov/pubmed/28085875 http://dx.doi.org/10.1371/journal.pcbi.1005314 |