Prediction of SAMPL3 host-guest binding affinities: evaluating the accuracy of generalized force-fields. - Hari S. Muddana; Michael K. Gilson (J. Comput. Aided Mol. Des., 2012)

Blind prediction of host-guest binding affinities: a new SAMPL3 challenge. - Hari S. Muddana; C. Daniel Varnado; Christopher W. Bielawski; Adam R. Urbach; Lyle Isaacs; Matthew T. Geballe; Michael K. Gilson (J. Comput. Aided Mol. Des., 2012)

The SAMPL4 host-guest blind prediction challenge: an overview. - Hari S. Muddana; Andrew T. Fenley; David L. Mobley; Michael K. Gilson (J. Comput. Aided Mol. Des., 2014)

The SAMPL4 hydration challenge: evaluation of partial charge sets with explicit-water molecular dynamics simulations. - Hari S. Muddana; Neil V. Sapra; Andrew T. Fenley; Michael K. Gilson (J. Comput. Aided Mol. Des., 2014)

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)