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A chirality-based metrics for free-energy calculations in biomolecular systems.
Adriana Pietropaolo
Davide Branduardi
Massimiliano Bonomi
Michele Parrinello
Published in:
J. Comput. Chem. (2011)
Keyphrases
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free energy
three dimensional
neural network
hidden markov models
probabilistic model
graphical models
fixed point