An online repository of solvation thermodynamic and structural maps of SARS-CoV-2 targets. - Brian Olson; Anthony Cruz-Balberdy; Lieyang Chen; Mossa Ghattas; Yeonji Ji; Kunhui Huang; Steven Ayoub; Tyler Luchko; Daniel J. McKay; Tom Kurtzman (J. Comput. Aided Mol. Des., 2020)

Memes: A motif analysis environment in R using tools from the MEME Suite. - Spencer L. Nystrom; Daniel J. McKay (PLoS Comput. Biol., 2021)

A Self-Consistent Approach to Rotamer and Protonation State Assignments (RAPA): Moving Beyond Single Protein Configurations. - Mossa Ghattas; Prerna Gera; Steven Ramsey; Anthony Cruz-Balberdy; Nathan Abraham; Vjay Molino; Daniel J. McKay; Tom Kurtzman (J. Chem. Inf. Model., 2025)