AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations. - Mark A. Hix; Alice R. Walker (J. Chem. Inf. Model., 2023)

From Docking and Molecular Dynamics to Experimental Discovery: Exploring the Hydrophobic Landscapes of Heparanase to Design Potent Inhibitors. - Hawau Abdulsalam; Mark A. Hix; Livia Philip; Kartikey Singh; Alice R. Walker; Hien M. Nguyen (J. Chem. Inf. Model., 2025)

Strategic Design of Fluorescent Perylene-Modified Nucleic Acid Monomers: Position-, Phosphorylation-, and Linker-Dependent Control of Electron Transfer. - Solomon Y. Effah; Mark A. Hix; Alice R. Walker (J. Chem. Inf. Model., 2025)