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Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of Ions

Metal ions exist in almost half of the proteins in the protein databank and they serve as structural, electron-transfer and catalytic elements in the metabolic processes of organisms. Molecular Dynamics (MD) simulation is a powerful tool that provides information about biomolecular systems at the at...

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Detalhes bibliográficos
Main Authors: Li, Pengfei, Merz, Kenneth M.
Formato: Artigo
Idioma:Inglês
Publicado em: 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3960013/
https://ncbi.nlm.nih.gov/pubmed/24659926
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400751u
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