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Towards optimal boundary integral formulations of the Poisson-Boltzmann equation for molecular electrostatics.
Stefan D. Search
Christopher D. Cooper
Elwin van't Wout
Published in:
J. Comput. Chem. (2022)
Keyphrases
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closed form
dynamic programming
poisson equation
data sets
neural network
three dimensional
optimal solution
worst case
mathematical model
object boundaries
optimal control
hamilton jacobi
molecular structures
optimal parameter values