RNA structure refinement and force field evaluation using molecular dynamics simulations. - Niel M. Henriksen; Thomas E. Cheatham III (TG, 2011)

Structural and Energetic Analysis of 2-Aminobenzimidazole Inhibitors in Complex with the Hepatitis C Virus IRES RNA Using Molecular Dynamics Simulations. - Niel M. Henriksen; Hamed S. Hayatshahi; Darrell R. Davis; Thomas E. Cheatham III (J. Chem. Inf. Model., 2014)

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)

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)