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Oversampling Free Energy Perturbation Simulation in Determination of the Ligand-Binding Free Energy.
Son Tung Ngo
Trung Hai Nguyen
Nguyen Thanh Tung
Pham Cam Nam
Khanh B. Vu
Van V. Vu
Published in:
J. Comput. Chem. (2020)
Keyphrases
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free energy
belief propagation
fixed point
upper bound
competitive learning
graphical models
posterior distribution
stereo matching
approximate inference
high quality
graph cuts
computer vision
supervised learning
energy minimization
incremental learning
generalized belief propagation