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Effects of forcefield and sampling method in all-atom simulations of inherently disordered proteins: Application to conformational preferences of human amylin

Although several computational modelling studies have investigated the conformational behaviour of inherently disordered protein (IDP) amylin, discrepancies in identifying its preferred solution conformations still exist between various forcefields and sampling methods used. Human islet amyloid poly...

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Bibliografiska uppgifter
I publikationen:PLoS One
Huvudupphovsmän: Peng, Enxi, Todorova, Nevena, Yarovsky, Irene
Materialtyp: Artigo
Språk:Inglês
Publicerad: Public Library of Science 2017
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC5638406/
https://ncbi.nlm.nih.gov/pubmed/29023509
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0186219
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