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)