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Calculation of relative solvation free energy differences by thermodynamic perturbation method: Dependence of free energy results on simulation length.
M. Rami Reddy
Mark D. Erion
Published in:
J. Comput. Chem. (1999)
Keyphrases
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free energy
perturbation method
upper bound
belief propagation
fixed point
competitive learning
posterior distribution
approximate inference
data perturbation
em algorithm
pairwise
probability distribution
model selection
privacy preserving
cross validation