%0 Journal Article %1 journals/jcamd/KonigPHSTLDPJST16 %A König, Gerhard %A IV, Frank C. Pickard %A Huang, Jing %A Simmonett, Andrew C. %A Tofoleanu, Florentina %A Lee, Juyong %A Dral, Pavlo O. %A Prasad, Samarjeet %A Jones, Michael R. %A Shao, Yihan %A Thiel, Walter %A Brooks, Bernard R. %D 2016 %J J. Comput. Aided Mol. Des. %K dblp %N 11 %P 989-1006 %T Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge. %U http://dblp.uni-trier.de/db/journals/jcamd/jcamd30.html#KonigPHSTLDPJST16 %V 30

@article{journals/jcamd/KonigPHSTLDPJST16, added-at = {2020-04-16T00:00:00.000+0200}, author = {König, Gerhard and IV, Frank C. Pickard and Huang, Jing and Simmonett, Andrew C. and Tofoleanu, Florentina and Lee, Juyong and Dral, Pavlo O. and Prasad, Samarjeet and Jones, Michael R. and Shao, Yihan and Thiel, Walter and Brooks, Bernard R.}, biburl = {https://www.bibsonomy.org/bibtex/2cee0238c3a04d62bc8de0464b3fca0fd/dblp}, ee = {https://www.wikidata.org/entity/Q57397675}, interhash = {a38cf951d7e2f74c12269e793131dd1c}, intrahash = {cee0238c3a04d62bc8de0464b3fca0fd}, journal = {J. Comput. Aided Mol. Des.}, keywords = {dblp}, number = 11, pages = {989-1006}, timestamp = {2020-04-17T11:54:29.000+0200}, title = {Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge.}, url = {http://dblp.uni-trier.de/db/journals/jcamd/jcamd30.html#KonigPHSTLDPJST16}, volume = 30, year = 2016 }