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An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations.
Yishui Li
Runduo Liu
Jie Liu
Haibin Luo
Chengkun Wu
Zhe Li
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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open source
similarity measure
objective function
free energy
neural network
dynamic programming
probability distribution
mutual information
segmentation method
image matching
gaussian distribution