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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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Bibliographische Detailangaben
Veröffentlicht in:J Chem Phys
Hauptverfasser: Lincoff, James, Sasmal, Sukanya, Head-Gordon, Teresa
Format: Artigo
Sprache:Inglês
Veröffentlicht: AIP Publishing LLC 2019
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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