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Hybrid method for representing ions in implicit solvation calculations

Fast and accurate calculations of the electrostatic features of highly charged biomolecules such as DNA, RNA, and highly charged proteins are crucial and challenging tasks. Traditional implicit solvent methods calculate the electrostatic features quickly, but these methods are not able to balance th...

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Detalles Bibliográficos
Autores principales: Sun, Shengjie, Karki, Chitra, Xie, Yixin, Xian, Yuejiao, Guo, Wenhan, Gao, Bruce Z., Li, Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7847951/
https://www.ncbi.nlm.nih.gov/pubmed/33598096
http://dx.doi.org/10.1016/j.csbj.2021.01.020