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GroScore: Accurate Scoring of Protein-Protein Binding Poses Using Explicit-Solvent Free-Energy Calculations.
Jan Walther Perthold
Chris Oostenbrink
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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free energy
protein protein
protein protein interactions
competitive learning
upper bound
fixed point
belief propagation
data sets
neural network
high precision
protein sequences
interaction networks
high dimensional
bayesian framework
computational methods
approximate inference