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Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields

Kirkwood-Buff analysis was performed on aqueous solutions of N-methylacetamide and acetamide using the Chemistry at HARvard Molecular Mechanics additive and Drude polarizable all-atom force fields. Comparison of a range of properties with experimental results, including Kirkwood-Buff integrals, exce...

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Bibliografiske detaljer
Main Authors: Lin, Bin, Lopes, Pedro E. M., Roux, Benoît, MacKerell, Alexander D.
Format: Artigo
Sprog:Inglês
Udgivet: AIP Publishing LLC 2013
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3772949/
https://ncbi.nlm.nih.gov/pubmed/24007020
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4818731
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