Improving the LIE Method for Binding Free Energy Calculations of Protein-Ligand Complexes. - Williams E. Miranda; Sergei Yu Noskov; Pedro A. Valiente (J. Chem. Inf. Model., 2015)

Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach. - Kuo-Hao Lee; Andrew D. Fant; Jiqing Guo; Andy Guan; Joslyn Jung; Mary Kudaibergenova; Williams E. Miranda; Therese Ku; Jianjing Cao; Soren Wacker; Henry J. Duff; Amy Hauck Newman; et al. (J. Chem. Inf. Model., 2021)