Discovery of Wild-Type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures. - Sara E. Nichols; Robert A. Domaoal; Vinay V. Thakur; Julian Tirado-Rives; Karen S. Anderson; William L. Jorgensen (J. Chem. Inf. Model., 2009)

Predictive Power of Molecular Dynamics Receptor Structures in Virtual Screening. - Sara E. Nichols; Riccardo Baron; Anthony Ivetac; James Andrew McCammon (J. Chem. Inf. Model., 2011)

Thermodynamic integration to predict host-guest binding affinities. - Morgan Lawrenz; Jeff Wereszczynski; Juan Manuel Ortiz-Sánchez; Sara E. Nichols; James Andrew McCammon (J. Comput. Aided Mol. Des., 2012)

Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC. - Meekyum Olivia Kim; Sara E. Nichols; Yi Wang 015; James Andrew McCammon (J. Comput. Aided Mol. Des., 2013)