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Size Matters: Free-Energy Calculations of Amino Acid Adsorption over Pristine Graphene.
Mateo Barria-Urenda
Alvaro Ruiz-Fernandez
Carlos Gonzalez
Chris Oostenbrink
José Antonio Garate
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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free energy
amino acids
protein sequences
belief propagation
posterior distribution
secondary structure
physico chemical
competitive learning
fixed point
protein structure prediction
protein folding
machine learning
objective function
markov random field
protein function