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Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge
Small molecule distribution coefficients between immiscible nonaqueuous and aqueous phases—such as cyclohexane and water—measure the degree to which small molecules prefer one phase over another at a given pH. As distribution coefficients capture both thermodynamic effects (the free energy of transf...
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| Gepubliceerd in: | J Comput Aided Mol Des |
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| Hoofdauteurs: | , , , , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2016
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5209288/ https://ncbi.nlm.nih.gov/pubmed/27718028 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9971-7 |
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