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Binding of carboxylate and trimethylammonium salts to octa-acid and TEMOA deep-cavity cavitands

In participation of the fifth statistical assessment of modeling of proteins and ligands (SAMPL5), the strength of association of six guests (3–8) to two hosts (1 and 2) were measured by (1)H NMR and ITC. Each host possessed a unique and well-defined binding pocket, whilst the wide array of amphiphi...

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書目詳細資料
發表在:J Comput Aided Mol Des
Main Authors: Sullivan, Matthew R., Sokkalingam, Punidha, Nguyen, Thong, Donahue, James P., Gibb, Bruce C.
格式: Artigo
語言:Inglês
出版: 2016
主題:
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC5571645/
https://ncbi.nlm.nih.gov/pubmed/27432339
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9925-0
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