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Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity

[Image: see text] Five peptides previously suggested to possess polyproline II (PPII) structure have here been investigated by using atomistic molecular dynamics simulations to compare how well four different force fields known for simulating intrinsically disordered proteins relatively well (Amber...

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Detalles Bibliográficos
Autores principales:	Jephthah, Stéphanie, Pesce, Francesco, Lindorff-Larsen, Kresten, Skepö, Marie
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8515809/ https://www.ncbi.nlm.nih.gov/pubmed/34524800 http://dx.doi.org/10.1021/acs.jctc.1c00408

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