Predicting Solvation Free Energies Using Electronegativity-Equalization Atomic Charges and a Dense Neural Network: A Generalized-Born Approach
Article in Journal of Chemical Theory and Computation (November 2023)
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Article in Journal of Chemical Theory and Computation (November 2023)
Article in Journal of Molecular Liquids (November 2023)
Article in Journal of Chemical Information and Modeling (September 2023)