Using Deep Graph Neural Networks Improves Physics-Based Hydration Free Energy Predictions Even for Molecules Outside of the Training Set Distribution is a research paper published in The Journal of Physical Chemistry B (2025). On theSindex it has a DataRank of 0. It has been cited 2 times.
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National Institute of General Medical Sciences
Grant: R01 GM144596
National Institutes of Health
Grant: 1R01GM144596-01
Next generation implicit solvation for atomistic modeling
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