Search results for "Cyclohexane/water"

Found 9 publication records. Showing 9 according to the selection in the facets

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
139	Mohamed Zerara, Jürgen Brickmann, Robert Kretschmer, Thomas E. Exner	Parameterization of an empirical model for the prediction of n -octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	Solvation and transfer free energies, Hydrophobic effect, Hydrophobic interaction, Brain/blood barrier, Octanol/water, Alkane/water, Cyclohexane/water, LogP
35	Ian M. Kenney, Oliver Beckstein, Bogdan I. Iorga	Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field.	J. Comput. Aided Mol. Des.	2016	DBLP DOI BibTeX RDF
35	Sebastian Diaz-Rodriguez, Samantha M. Bozada, Jeremy R. Phifer, Andrew S. Paluch	Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model.	J. Comput. Aided Mol. Des.	2016	DBLP DOI BibTeX RDF
35	Ariën S. Rustenburg, Justin Dancer, Baiwei Lin, Jianwen A. Feng, Daniel F. Ortwine, David L. Mobley, John D. Chodera	Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge.	J. Comput. Aided Mol. Des.	2016	DBLP DOI BibTeX RDF
35	Caitlin C. Bannan, Kalistyn H. Burley, Michael Chiu, Michael R. Shirts, Michael K. Gilson, David L. Mobley	Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge.	J. Comput. Aided Mol. Des.	2016	DBLP DOI BibTeX RDF
35	Andreas Klamt, Frank Eckert, Jens Reinisch, Karin Wichmann	Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set.	J. Comput. Aided Mol. Des.	2016	DBLP DOI BibTeX RDF
35	Ganesh Kamath, Igor Kurnikov, Boris Fain, Igor V. Leontyev, Alexey A. Illarionov, Oleg Butin, Michael A. Olevanov, Leonid B. Pereyaslavets	Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields.	J. Comput. Aided Mol. Des.	2016	DBLP DOI BibTeX RDF
35	Nicolas Tielker, Daniel Tomazic, Jochen Heil, Thomas Kloss, Sebastian Ehrhart, Stefan Güssregen, K. Friedemann Schmidt, Stefan M. Kast	The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane-water log D.	J. Comput. Aided Mol. Des.	2016	DBLP DOI BibTeX RDF
35	L. Abu-Farah, F. Al-Qaessi, A. Schönbucher	Cyclohexane/water dispersion behaviour in a stirred batch vessel experimentally and with CFD simulation.	ICCS	2010	DBLP DOI BibTeX RDF