Structural Investigation of DHICA Eumelanin Using Density Functional Theory and Classical Molecular Dynamics Simulations

Eumelanin is an important pigment, for example, in skin, hair, eyes, and the inner ear. It is a highly heterogeneous polymer with 5,6-dihydroxyindole-2-carboxylic acid (DHICA) and 5,6-dihydroxyindole (DHI) building blocks, of which DHICA is reported as the more abundant in natural eumelanin. The DHI...

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Detalles Bibliográficos
Autores principales: Soltani, Sepideh, Sowlati-Hashjin, Shahin, Tetsassi Feugmo, Conrard Giresse, Karttunen, Mikko
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9738096/
https://www.ncbi.nlm.nih.gov/pubmed/36500509
http://dx.doi.org/10.3390/molecules27238417

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9738096/
https://www.ncbi.nlm.nih.gov/pubmed/36500509
http://dx.doi.org/10.3390/molecules27238417

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