Volume 30, Issue 11, November 2016
Special Issue: Distribution coefficient prediction: The SAMPL5 challenge - Part 1 of 2
Issue Editors:
- David L Mobley
- … show all 1 hide
ISSN:
0920-654X (Print)
1573-4951 (Online)
In this issue (17 articles)
-
OriginalPaper
Blind prediction of cyclohexane–water distribution coefficients from the SAMPL5 challenge
Caitlin C. Bannan, Kalistyn H. Burley… Pages 927-944 -
OriginalPaper
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge
Ariën S. Rustenburg, Justin Dancer… Pages 945-958 -
OriginalPaper
Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set
Andreas Klamt, Frank Eckert, Jens Reinisch… Pages 959-967 -
OriginalPaper
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections
Frank C. Pickard IV, Gerhard König… Pages 1087-1100 -
OriginalPaper
Blinded predictions of distribution coefficients in the SAMPL5 challenge
Stefano Bosisio, Antonia S. J. S. Mey… Pages 1101-1114 -
OriginalPaper
Partition coefficients for the SAMPL5 challenge using transfer free energies
Michael R. Jones, Bernard R. Brooks… Pages 1129-1138

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