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Does the inclusion of electronic polarisability lead to a better modelling of peptide aggregation?
Simulating the process of amyloid aggregation with atomic detail is a challenging task for various reasons. One of them is that it is difficult to parametrise a force field such that all protein states ranging from the folded through the unfolded to the aggregated state are represented with the same...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9301629/ https://www.ncbi.nlm.nih.gov/pubmed/35919139 http://dx.doi.org/10.1039/d2ra01478e |