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Comparing pairwise-additive and many-body generalized Born models for acid/base calculations and protein design.
Francesco Villa
David Mignon
Savvas Polydorides
Thomas Simonson
Published in:
J. Comput. Chem. (2017)
Keyphrases
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pairwise
pairwise interactions
statistical models
neural network
case study
probabilistic model
modelling language
design space
design principles
design process
protein functional
molecular dynamics
statistical methods
parameter estimation
multi class
prior knowledge
social networks