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PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations.
Pedro B. P. S. Reis
Diogo Vila-Viçosa
Walter Rocchia
Miguel Machuqueiro
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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open source
artificial intelligence
programming language
closed form
neural network
real world
data mining
information systems
mobile robot
object oriented
software engineering
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open source software
spherical harmonics
poisson process