Self-Consistent Parameterization of DNA Residues for the Non-Polarizable AMBER Force Fields

Fixed-charge (non-polarizable) forcefields are accurate and computationally efficient tools for modeling the molecular dynamics of nucleic acid polymers, particularly DNA, well into the µs timescale. The continued utility of these forcefields depends in part on expanding the residue set in step with...

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Detalles Bibliográficos
Autores principales: Schneider, Amelia L., Albrecht, Amanda V., Huang, Kenneth, Germann, Markus W., Poon, Gregory M. K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9143812/
https://www.ncbi.nlm.nih.gov/pubmed/35629334
http://dx.doi.org/10.3390/life12050666

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9143812/
https://www.ncbi.nlm.nih.gov/pubmed/35629334
http://dx.doi.org/10.3390/life12050666

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