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...

Ful tanımlama

Kaydedildi:
Detaylı Bibliyografya
Asıl Yazarlar: Lin, Bin, Lopes, Pedro E. M., Roux, Benoît, MacKerell, Alexander D.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: AIP Publishing LLC 2013
Konular:
Liquids, Glasses, and Crystals
Online Erişim: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
Etiketler: Etiketle
Etiket eklenmemiş, İlk siz ekleyin!

Benzer Materyaller