SAMPL6 blind predictions of water-octanol partition coefficients using nonequilibrium alchemical approaches.
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| Title: | SAMPL6 blind predictions of water-octanol partition coefficients using nonequilibrium alchemical approaches. |
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| Authors: | Procacci, Piero1, procacci@unifi.it, Guarnieri, Guido2 |
| Source: | Journal of Computer-Aided Molecular Design; Apr2020, Vol. 34 Issue 4, p371-384, 14p |
| Database: | Applied Science & Technology Source |
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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-019-00233-9 |
