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Coupling finite and boundary element methods to solve the Poisson-Boltzmann equation for electrostatics in molecular solvation.
Michal Bosy
Matthew W. Scroggs
Timo Betcke
Erik Burman
Christopher D. Cooper
Published in:
J. Comput. Chem. (2023)
Keyphrases
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significant improvement
optimization methods
computer science
data analysis
numerical methods