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Replica exchange molecular dynamics simulation of the coordination of Pt(ii)-Phenanthroline to amyloid-β

We report replica exchange molecular dynamics (REMD) simulations of the complex formed between amyloid-β peptides and platinum bound to a phenanthroline ligand, Pt(phen). After construction of an AMBER-style forcefield for the Pt complex, REMD simulation employing temperatures between 270 and 615 K...

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Detalles Bibliográficos
Autores principales:	Turner, Matthew, Mutter, Shaun T., Kennedy-Britten, Oliver D., Platts, James A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9074135/ https://www.ncbi.nlm.nih.gov/pubmed/35530686 http://dx.doi.org/10.1039/c9ra04637b

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