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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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Bibliografski detalji
Izdano u:J Chem Phys
Glavni autori: Lincoff, James, Sasmal, Sukanya, Head-Gordon, Teresa
Format: Artigo
Jezik:Inglês
Izdano: AIP Publishing LLC 2019
Teme:
Online pristup: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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