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Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein-Ligand Sampling.
Wenlang Liu
Zhenhao Liu
Hao Liu
Lance M. Westerhoff
Zheng Zheng
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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molecular dynamics
prior knowledge
pairwise
model selection
probabilistic model
free energy
bayesian networks
state space
unsupervised learning
energy function