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pH-Induced Changes in Polypeptide Conformation: Force-Field Comparison with Experimental Validation

[Image: see text] Microsecond-long all-atom molecular dynamics (MD) simulations, circular dichroism, laser Doppler velocimetry, and dynamic light-scattering techniques have been used to investigate pH-induced changes in the secondary structure, charge, and conformation of poly l-lysine (PLL) and pol...

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Detalles Bibliográficos
Autores principales: Batys, Piotr, Morga, Maria, Bonarek, Piotr, Sammalkorpi, Maria
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7590956/
https://www.ncbi.nlm.nih.gov/pubmed/32182068
http://dx.doi.org/10.1021/acs.jpcb.0c01475