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Partition Coefficients for the SAMPL5 Challenge using Transfer Free Energies
SAMPL challenges[1–4] provide excellent opportunities to assess theoretical approaches on new data sets with a goal of gaining greater insight towards protein and ligand modeling. In the SAMPL5 experiment, cyclohexane-water partition coefficients were determined using a vertical solvation scheme in...
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| Vydáno v: | J Comput Aided Mol Des |
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| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2016
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6561331/ https://ncbi.nlm.nih.gov/pubmed/27646287 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9964-6 |
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