Overview of the SAMPL6 host-guest binding affinity prediction challenge
A. Rizzi, S. Murkli, J. N. McNeill, W. Yao, M. Sullivan, M. K. Gilson, M. W. Chiu, L. Isaacs, B. C. Gibb, D. L. Mobley, J. D. Chodera
This paper provides an overview of the SAMPL6 host-guest binding affinity prediction challenge, highlighting methodological improvements and remaining challenges in predicting binding affinities.
bioRxiv · Sep 25, 2018Biophysics