Absolute binding free energies for octa-acids and guests in SAMPL5 - Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge.
Florentina TofoleanuJuyong LeeFrank C. Pickard IVGerhard KönigJing HuangMinkyung BaekChaok SeokBernard R. BrooksPublished in: J. Comput. Aided Mol. Des. (2017)