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Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields.
Marie Zgarbová
Andreana M. Rosnik
F. Javier Luque
Carles Curutchet
Petr Jurecka
Published in:
J. Comput. Chem. (2015)
Keyphrases
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maximum likelihood
fine tuning
analytical models
database
theoretical analysis
parameter values
maximum likelihood estimation
design parameters
computer vision
multiscale
trade off
parameter estimation
empirical data
parameter selection