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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1947 2
1952 1
1964 1
1966 1
1969 1
1971 1
1972 1
1974 1
1975 1
1976 1
1977 1
1978 1
1981 2
1983 2
1984 1
1987 1
1988 2
1989 1
1990 2
1991 1
1992 1
1993 2
1994 1
1996 1
1997 3
1998 2
1999 2
2000 4
2001 2
2002 9
2003 3
2004 2
2005 7
2006 6
2007 4
2008 7
2009 6
2010 9
2011 5
2012 6
2013 9
2014 4
2015 6
2016 25
2017 10
2018 13
2019 10
2020 9
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Similar Articles for PMID: 27718028

175 results
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Page 1
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge.
Rustenburg AS, Dancer J, Lin B, Feng JA, Ortwine DF, Mobley DL, Chodera JD. Rustenburg AS, et al. J Comput Aided Mol Des. 2016 Nov;30(11):945-958. doi: 10.1007/s10822-016-9971-7. Epub 2016 Oct 7. J Comput Aided Mol Des. 2016. PMID: 27718028 Free PMC article.
Extended solvent-contact model approach to blind SAMPL5 prediction challenge for the distribution coefficients of drug-like molecules.
Chung KC, Park H. Chung KC, et al. J Comput Aided Mol Des. 2016 Nov;30(11):1019-1033. doi: 10.1007/s10822-016-9928-x. Epub 2016 Jul 23. J Comput Aided Mol Des. 2016. PMID: 27448686
Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge.
Bannan CC, Burley KH, Chiu M, Shirts MR, Gilson MK, Mobley DL. Bannan CC, et al. J Comput Aided Mol Des. 2016 Nov;30(11):927-944. doi: 10.1007/s10822-016-9954-8. Epub 2016 Sep 27. J Comput Aided Mol Des. 2016. PMID: 27677750 Free PMC article.
Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set.
Klamt A, Eckert F, Reinisch J, Wichmann K. Klamt A, et al. J Comput Aided Mol Des. 2016 Nov;30(11):959-967. doi: 10.1007/s10822-016-9927-y. Epub 2016 Jul 26. J Comput Aided Mol Des. 2016. PMID: 27460058
Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model.
Diaz-Rodriguez S, Bozada SM, Phifer JR, Paluch AS. Diaz-Rodriguez S, et al. J Comput Aided Mol Des. 2016 Nov;30(11):1007-1017. doi: 10.1007/s10822-016-9945-9. Epub 2016 Aug 26. J Comput Aided Mol Des. 2016. PMID: 27565796
Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field.
Kenney IM, Beckstein O, Iorga BI. Kenney IM, et al. J Comput Aided Mol Des. 2016 Nov;30(11):1045-1058. doi: 10.1007/s10822-016-9949-5. Epub 2016 Aug 31. J Comput Aided Mol Des. 2016. PMID: 27581968
Partition coefficients for the SAMPL5 challenge using transfer free energies.
Jones MR, Brooks BR, Wilson AK. Jones MR, et al. J Comput Aided Mol Des. 2016 Nov;30(11):1129-1138. doi: 10.1007/s10822-016-9964-6. Epub 2016 Sep 19. J Comput Aided Mol Des. 2016. PMID: 27646287 Free PMC article.
Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields.
Kamath G, Kurnikov I, Fain B, Leontyev I, Illarionov A, Butin O, Olevanov M, Pereyaslavets L. Kamath G, et al. J Comput Aided Mol Des. 2016 Nov;30(11):977-988. doi: 10.1007/s10822-016-9958-4. Epub 2016 Sep 1. J Comput Aided Mol Des. 2016. PMID: 27585472
The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane-water log D.
Tielker N, Tomazic D, Heil J, Kloss T, Ehrhart S, Güssregen S, Schmidt KF, Kast SM. Tielker N, et al. J Comput Aided Mol Des. 2016 Nov;30(11):1035-1044. doi: 10.1007/s10822-016-9939-7. Epub 2016 Aug 23. J Comput Aided Mol Des. 2016. PMID: 27554666
All-atom/coarse-grained hybrid predictions of distribution coefficients in SAMPL5.
Genheden S, Essex JW. Genheden S, et al. J Comput Aided Mol Des. 2016 Nov;30(11):969-976. doi: 10.1007/s10822-016-9926-z. Epub 2016 Jul 26. J Comput Aided Mol Des. 2016. PMID: 27460060 Free PMC article.
175 results
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