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

Internet

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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