Solvent Effect on the Structure and Properties of RGD Peptide (1FUV) at Body Temperature (310 K) Using Ab Initio Molecular Dynamics

The structure and properties of the arginine-glycine-aspartate (RGD) sequence of the 1FUV peptide at 0 K and body temperature (310 K) are systematically investigated in a dry and aqueous environment using more accurate ab initio molecular dynamics and density functional theory calculations. The fund...

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Detalles Bibliográficos
Autores principales: Baral, Khagendra, Adhikari, Puja, Jawad, Bahaa, Podgornik, Rudolf, Ching, Wai-Yim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512769/
https://www.ncbi.nlm.nih.gov/pubmed/34641249
http://dx.doi.org/10.3390/polym13193434

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512769/
https://www.ncbi.nlm.nih.gov/pubmed/34641249
http://dx.doi.org/10.3390/polym13193434

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