"Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and ..."

Peter A. Hunt et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C00105

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type: Journal Article

metadata version: 2021-10-14

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Peter A. Hunt, Layla Hosseini-Gerami, Tomas Chrien, Jeffrey Plante, David J. Ponting, Matthew D. Segall:
Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods. J. Chem. Inf. Model. 60(6): 2989-2997 (2020)

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