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Conformational state-specific free energy differences by one-step perturbation: Protein secondary structure preferences of the GROMOS 43A1 and 53A6 force fields.
Zhixiong Lin
Wilfred F. van Gunsteren
Haiyan Liu
Published in:
J. Comput. Chem. (2011)
Keyphrases
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free energy
protein secondary structure
protein secondary structure prediction
belief propagation
fixed point
bayesian inference