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Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling.
Haohao Fu
Christophe Chipot
Xueguang Shao
Wensheng Cai
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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free energy
protein protein
belief propagation
upper bound
computational methods
posterior distribution
protein protein interactions
markov chain
fixed point
information extraction
high throughput
protein structure
approximate inference
competitive learning
interaction networks
predicting protein