In silico direct folding of thrombin-binding aptamer G-quadruplex at all-atom level

The reversible folding of the thrombin-binding DNA aptamer G-quadruplexes (GQs) (TBA-15) starting from fully unfolded states was demonstrated using a prolonged time scale (10–12 μs) parallel tempering metadynamics (PTMetaD) simulation method in conjunction with a modified version of the AMBER bsc1 f...

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Detalles Bibliográficos
Autores principales: Yang, Changwon, Kulkarni, Mandar, Lim, Manho, Pak, Youngshang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2017
Materias:
Computational Biology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5728390/
https://www.ncbi.nlm.nih.gov/pubmed/29112755
http://dx.doi.org/10.1093/nar/gkx1079

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5728390/
https://www.ncbi.nlm.nih.gov/pubmed/29112755
http://dx.doi.org/10.1093/nar/gkx1079

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