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An assessment of the accuracy of the RRIGS hydration potential: Comparison to solutions of the Poisson-Boltzmann equation.
Joseph D. Augspurger
Harold A. Scheraga
Published in:
J. Comput. Chem. (1997)
Keyphrases
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high accuracy
computational efficiency
optimal solution
error rate
boundary value problem
neural network
numerical stability
data sets
high precision
confusion matrices
database
training data
mathematical model
closed form
error analysis
spherical harmonics