@article{DurmazWeberBecker2012, author = {Vedat Durmaz and Marcus Weber and Roland Becker}, title = {How to Simulate Affinities for Host-Guest Systems Lacking Binding Mode Information: application to the liquid chromatographic separation of hexabromocyclododecane stereoisomers}, journal = {Journal of Molecular Modeling}, volume = {18}, pages = {2399 -- 2408}, doi = {10.1007/s00894-011-1239-5}, year = {2012}, }