Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method. - Hari S. Muddana; Jian Yin 005; Neil V. Sapra; Andrew T. Fenley; Michael K. Gilson (J. Comput. Aided Mol. Des., 2014)

Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. - Michael R. Shirts; Christoph Klein 003; Jason M. Swails; Jian Yin 005; Michael K. Gilson; David L. Mobley; David A. Case; Ellen D. Zhong (J. Comput. Aided Mol. Des., 2017)

Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. - Michael R. Shirts; Christoph Klein 003; Jason M. Swails; Jian Yin 005; Michael K. Gilson; David L. Mobley; David A. Case; Ellen D. Zhong (J. Comput. Aided Mol. Des., 2017)

The SAMPL5 host-guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method. - Jian Yin 005; Niel M. Henriksen; David R. Slochower; Michael K. Gilson (J. Comput. Aided Mol. Des., 2017)

Overview adcm43.bhtof the SAMPL5 host-guest challenge: Are we doing better? - Jian Yin 005; Niel M. Henriksen; David R. Slochower; Michael R. Shirts; Michael Chiu; David L. Mobley; Michael K. Gilson (J. Comput. Aided Mol. Des., 2017)