Experimental Studies of the Universal Chemical Key (UCK)Algorithm on the NCI Database of Chemical Compounds. - Robert L. Grossman; Pavan Kasturi; Donald Hamelberg; Bing Liu 001 (CSB, 2003)

An Empirical Study of the Universal Chemical Key Algorithm for Assigning Unique Keys to Chemical Compounds. - Robert L. Grossman; Pavan Kasturi; Donald Hamelberg; Bing Liu 001 (J. Bioinform. Comput. Biol., 2004)

Cyclophilin A Inhibition: Targeting Transition-State-Bound Enzyme Conformations for Structure-Based Drug Design. - Mulpuri Nagaraju; Lauren C. McGowan; Donald Hamelberg (J. Chem. Inf. Model., 2013)

Conserved Hydration Sites in Pin1 Reveal a Distinctive Water Recognition Motif in Proteins. - Arghya Barman; Crystal Smitherman; Michael Souffrant; Giovanni Gadda; Donald Hamelberg (J. Chem. Inf. Model., 2016)

Elucidating Allosteric Communications in Proteins with Difference Contact Network Analysis. - Xin-Qiu Yao; Mohamed Momin; Donald Hamelberg (J. Chem. Inf. Model., 2018)

Establishing a Framework of Using Residue-Residue Interactions in Protein Difference Network Analysis. - Xin-Qiu Yao; Mohamed Momin; Donald Hamelberg (J. Chem. Inf. Model., 2019)

Editorial. - Wentian Li; Donald Hamelberg (Comput. Biol. Chem., 2023)

Evolving Mutational Buildup in HIV-1 Protease Shifts Conformational Dynamics to Gain Drug Resistance. - Michael Souffrant; Xin-Qiu Yao; Donald Hamelberg (J. Chem. Inf. Model., 2023)