Insights into the mechanism of methionine oxidation catalyzed by metal (Cu2+, Zn2+, and Fe3+) - Amyloid beta (Abeta) peptide complexes: A computational study. - Arghya Barman; Woody Taves; Rajeev Prabhakar (J. Comput. Chem., 2009)

Protonation States of the Catalytic Dyad of β-Secretase (BACE1) in the Presence of Chemically Diverse Inhibitors: A Molecular Docking Study. - Arghya Barman; Rajeev Prabhakar (J. Chem. Inf. Model., 2012)

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)