Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy, Effective Ligand Size, and Empirical Pair Potentials for Prediction of Protein-Ligand Binding Geometry and Free Energy. - Obaidur Rahaman; Trilce Estrada; Douglas J. Doren; Michela Taufer; Charles L. Brooks III; Roger S. Armen (J. Chem. Inf. Model., 2011)

Deep Learning Total Energies and Orbital Energies of Large Organic Molecules Using Hybridization of Molecular Fingerprints. - Obaidur Rahaman; Alessio Gagliardi (J. Chem. Inf. Model., 2020)