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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...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | J Comput Aided Mol Des |
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| Κύριοι συγγραφείς: | , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
2016
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| Θέματα: | |
| Διαθέσιμο Online: | 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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