"PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations."

Pedro B. P. S. Reis et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C00718

access: closed

type: Journal Article

metadata version: 2021-06-01

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Pedro B. P. S. Reis, Diogo Vila-Viçosa, Walter Rocchia, Miguel Machuqueiro:
PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations. J. Chem. Inf. Model. 60(10): 4442-4448 (2020)

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