Structure-Based Predictive Models for Allosteric Hot Spots. - Omar N. A. Demerdash; Michael D. Daily; Julie C. Mitchell (PLoS Comput. Biol., 2009)

Using diverse potentials and scoring functions for the development of improved machine-learned models for protein-ligand affinity and docking pose prediction. - Omar N. A. Demerdash (J. Comput. Aided Mol. Des., 2021)