Electronic polarization stabilizes tertiary structure prediction of HP-36

Molecular dynamic (MD) simulations with both implicit and explicit solvent models have been carried out to study the folding dynamics of HP-36 protein. Starting from the extended conformation, the secondary structure of all three helices in HP-36 was formed in about 50 ns and remained stable in the...

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Detalles Bibliográficos
Autores principales: Duan, Li L., Zhu, Tong, Zhang, Qing G., Tang, Bo, Zhang, John Z. H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2014
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3996369/
https://www.ncbi.nlm.nih.gov/pubmed/24715046
http://dx.doi.org/10.1007/s00894-014-2195-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3996369/
https://www.ncbi.nlm.nih.gov/pubmed/24715046
http://dx.doi.org/10.1007/s00894-014-2195-7

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