Ligand-Receptor 3-D Similarity Studies Using Multiple 4-Point Pharmacophores. - Jonathan S. Mason; Daniel L. Cheney (Pacific Symposium on Biocomputing, 1999)

Macrocycle Conformational Sampling with MacroModel. - K. Shawn Watts; Pranav Dalal; Andrew J. Tebben; Daniel L. Cheney; John C. Shelley (J. Chem. Inf. Model., 2014)

Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling. - Daniel J. Sindhikara; Steven A. Spronk; Tyler Day; Kenneth W. Borrelli; Daniel L. Cheney; Shana L. Posy (J. Chem. Inf. Model., 2017)

Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge. - Derek P. Metcalf; Andy Jiang; Steven A. Spronk; Daniel L. Cheney; C. David Sherrill (J. Chem. Inf. Model., 2021)

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)