Read the article to learn more about Ligand Selectivity Predictions From Absolute Binding Free Energy Calculations. 

_{1 Structural Bioinformatics and Computational Biochemistry, Department of Biochemistry, University of Oxford, South Parks Road, Oxford OX1 3QU, U.K.}

_{2 Evotec (U.K.) Ltd., 114 Innovation Drive, Milton Park, Abingdon, Oxfordshire OX14 4RZ, U.K.}

_{3 Structural Genomics Consortium, Nuffield Department of Clinical Medicine, University of Oxford, Old Road Campus Research Building, Roosevelt Drive, Oxford OX3 7DQ, U.K.}

_{4 Target Discovery Institute, Nuffield Department of Clinical Medicine, University of Oxford, Roosevelt Drive, Oxford OX3 7BN, U.K.}

_{5 Institute for Pharmaceutical Chemistry, Goethe University Frankfurt, 60438 Frankfurt, Germany}