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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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| Publicado no: | J Comput Aided Mol Des |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2016
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| Assuntos: | |
| Acesso em linha: | 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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