Skip to main content
. Author manuscript; available in PMC: 2018 Jan 1.
Published in final edited form as: J Comput Aided Mol Des. 2016 Sep 30;31(1):29–44. doi: 10.1007/s10822-016-9956-6

Fig. 3.

Fig. 3

Calculated standard binding free energies from the SAMPL5 octa-acid (a), methyl octa-acid (b) and CB-clip (c) complexes against the corresponding experimental values. The points in green filled circles are the binding free energies obtained with the incorporation of salt effects. Filled black triangles are the free energies obtained without salt effects. RMSE = Root Mean-Squared Error, r = Pearson correlation coefficient