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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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Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Chem Phys
Egile Nagusiak: Lincoff, James, Sasmal, Sukanya, Head-Gordon, Teresa
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: AIP Publishing LLC 2019
Gaiak:
Sarrera elektronikoa: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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