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An estimation method of binding free energy in terms of ABEEMsigmapi/MM and continuum electrostatics fused into LIE method.
Shu-Ling Chen
Dong-Xia Zhao
Zhong-Zhi Yang
Published in:
J. Comput. Chem. (2011)
Keyphrases
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objective function
bayesian networks
cross validation
gaussian distribution
free energy