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)

Open collaborative writing with Manubot. - Daniel S. Himmelstein; Vincent Rubinetti; David R. Slochower; Dongbo Hu; Venkat S. Malladi; Casey S. Greene; Anthony Gitter (PLoS Comput. Biol., 2019)

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. - Andrea Rizzi; Travis Jensen; David R. Slochower; Matteo Aldeghi; Vytautas Gapsys; Dimitris Ntekoumes; Stefano Bosisio; Michail Papadourakis; Niel M. Henriksen; Bert L. de Groot; Zoe Cournia; Alex Dickson; et al. (J. Comput. Aided Mol. Des., 2020)

Experimental characterization of the association of β-cyclodextrin and eight novel cyclodextrin derivatives with two guest compounds. - K. Kellett; David R. Slochower; Michael Schauperl; B. M. Duggan; Michael K. Gilson (J. Comput. Aided Mol. Des., 2021)