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A Negative Cooperativity Mechanism of Human CYP2E1 Inferred from Molecular Dynamics Simulations and Free Energy Calculations.
Jue Li
Dong-Qing Wei
Jing-Fang Wang
Yi-Xue Li
Published in:
J. Chem. Inf. Model. (2011)
Keyphrases
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free energy
fixed point
upper bound
belief propagation
molecular dynamics simulations
approximate inference
competitive learning
bayesian networks
graphical models
molecular dynamics
computer vision
probabilistic model
posterior distribution