Rapid parameterization of small molecules using the force field toolkit. - Christopher G. Mayne; Jan Saam; Klaus Schulten; Emad Tajkhorshid; James C. Gumbart (J. Comput. Chem., 2013)

Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands. - Jacob D. Durrant; Kathryn E. Carlson; Teresa A. Martin; Tavina L. Offutt; Christopher G. Mayne; John A. Katzenellenbogen; Rommie E. Amaro (J. Chem. Inf. Model., 2015)

Assembly and Analysis of Cell-Scale Membrane Envelopes. - Josh Vincent Vermaas; Christopher G. Mayne; Eric Shinn; Emad Tajkhorshid (J. Chem. Inf. Model., 2022)