"Directional ΔG Neural Network (DrΔG-Net): A ..."

Derek P. Metcalf et al. (2024)

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DOI: 10.1021/ACS.JCIM.3C02054

access: open

type: Journal Article

metadata version: 2024-06-08

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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)

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