Structural explanation for the tunable substrate specificity of an E. coli nucleoside hydrolase: insights from molecular dynamics simulations. - Stefan A. P. Lenz; Stacey D. Wetmore (J. Comput. Aided Mol. Des., 2018)

Effect of Size and Shape of Nitrogen-Containing Aromatics on Conformational Preferences of DNA Containing Damaged Guanine. - Ryan W. Kung; Purshotam Sharma; Stacey D. Wetmore (J. Chem. Inf. Model., 2018)

Role of Stacking Interactions in the Stability of Primitive Genetics: A Quantum Chemical View. - Sarabjeet Kaur; Payal Grover; Stacey D. Wetmore; Purshotam Sharma (J. Chem. Inf. Model., 2021)

Impact of DNA Adduct Size, Number, and Relative Position on the Toxicity of Aromatic Amines: A Molecular Dynamics Case Study of ANdG- and APdG-Containing DNA Duplexes. - Ryan W. Kung; Trinity K. Deak; Cassidy A. Griffith-Salik; Nathania A. Takyi; Stacey D. Wetmore (J. Chem. Inf. Model., 2021)

Is Metal Stabilization of the Leaving Group Required or Can Lysine Facilitate Phosphodiester Bond Cleavage in Nucleic Acids? A Computational Study of EndoV. - Rajwinder Kaur; Stacey D. Wetmore (J. Chem. Inf. Model., 2024)