Binding Free Energy

AMOEBA Binding Free Energies for the SAMPL7 TrimerTrip Host-Guest Challenge, Y. Shi, M. L. Laury, Z. Wang and J. W. Ponder, J. Comput. Aid. Mol. Des., 35, 79-93 (2021)

Absolute Binding Free Energies for the SAMPL6 Cucurbit[8]ruil Host-Guest Challenge via the AMOEBA Polarizable Force Field, M. L. Laury, Z. Wang, A. S. Gordon and J. W. Ponder, J. Comput. Aid. Mol. Des., 32, 1087-1095 (2018)

Calculating Binding Free Energies of Host-Guest Systems Using the AMOEBA Polarizable Force Field, D. R. Bell, R. Qi, Z. Jing, J. Y. Xiang, C. Meijas, M. J. Schnieders, J. W. Ponder and P. Ren, Phys. Chem. Chem. Phys., 18, 30261-30269 (2016)