Quantifying Inter-Residue Contacts through Interaction Energies. - Thomas J. Summers; Baty P. Daniel; Qianyi Cheng; Nathan J. DeYonker (J. Chem. Inf. Model., 2019)

Computational Insight into the Rope-Skipping Isomerization of Diarylether Cyclophanes. - Thomas J. Summers; Hrishikesh Tupkar; Tyler M. Ozvat; Zoë Tregillus; Kenneth A. Miller; Nathan J. DeYonker (Symmetry, 2021)

Analysis of the First Ion Coordination Sphere: A Toolkit to Analyze the Coordination Sphere of Ions. - Stuart J. McElhany; Thomas J. Summers; Richard C. Shiery; David C. Cantu (J. Chem. Inf. Model., 2023)

Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution. - Thomas J. Summers; Difan Zhang; Josiane A. Sobrinho; Ana de Bettencourt-Dias; Roger Rousseau; Vassiliki-Alexandra Glezakou; David C. Cantu (J. Chem. Inf. Model., 2024)