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Journal Articles
- 2024
[j4]Derek P. Metcalf
, Zachary L. Glick, Andrea Bortolato, Andy Jiang, Daniel L. Cheney, C. David Sherrill:
Directional ΔG Neural Network (DrΔG-Net): A Modular Neural Network Approach to Binding Free Energy Prediction. J. Chem. Inf. Model. 64(6): 1907-1918 (2024)- 2021
- [j3]Derek P. Metcalf, Andy Jiang, Steven A. Spronk, Daniel L. Cheney, C. David Sherrill:
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge. J. Chem. Inf. Model. 61(1): 115-122 (2021) - 2017
- [j2]Daniel J. Sindhikara, Steven A. Spronk, Tyler Day, Kenneth W. Borrelli, Daniel L. Cheney, Shana L. Posy:
Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling. J. Chem. Inf. Model. 57(8): 1881-1894 (2017) - 2014
- [j1]K. Shawn Watts, Pranav Dalal, Andrew J. Tebben, Daniel L. Cheney, John C. Shelley:
Macrocycle Conformational Sampling with MacroModel. J. Chem. Inf. Model. 54(10): 2680-2696 (2014)
Conference and Workshop Papers
- 1999
- [c1]Jonathan S. Mason, Daniel L. Cheney:
Ligand-Receptor 3-D Similarity Studies Using Multiple 4-Point Pharmacophores. Pacific Symposium on Biocomputing 1999: 456-467
Coauthor Index
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