Directional ΔG Neural Network (DrΔG-Net): A Modular Neural Network Approach to Binding Free Energy Prediction. - Derek P. Metcalf; Zachary L. Glick; Andrea Bortolato; Andy Jiang; Daniel L. Cheney; C. David Sherrill (J. Chem. Inf. Model., 2024)

Toward Routine CSP of Pharmaceuticals: A Fully Automated Protocol Using Neural Network Potentials. - Zachary L. Glick; Derek P. Metcalf; Scott F. Swarthout (CoRR, 2025)