Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds. - Christopher T. Lee; Jeffrey Comer; Conner Herndon; Nelson Leung 003; Anna Pavlova; Robert V. Swift; Chris Tung; Christopher N. Rowley; Rommie E. Amaro; Christophe Chipot; Yi Wang; James C. Gumbart (J. Chem. Inf. Model., 2016)

Iodide Binding in Sodium-Coupled Cotransporters. - Ariela Vergara Jaque; Peying Fong; Jeffrey Comer (J. Chem. Inf. Model., 2017)

Structural Determinants of the Dopamine Transporter Regulation Mediated by G Proteins. - Genoveva Rojas; Ivana Orellana; Roberto Rosales-Rojas; Jennie García-Olivares; Jeffrey Comer; Ariela Vergara Jaque (J. Chem. Inf. Model., 2020)

Design of Peptides that Fold and Self-Assemble on Graphite. - Justin Legleiter; Ravindra Thakkar; Astrid Velásquez-Silva; Ingrid Miranda-Carvajal; Susan Whitaker; John Tomich; Jeffrey Comer (J. Chem. Inf. Model., 2022)