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ProtoCaller: Robust Automation of Binding Free Energy Calculations.
Miroslav Suruzhon
Tharindu Senapathi
Michael S. Bodnarchuk
Russell C. Viner
Ian D. Wall
Christopher B. Barnett
Kevin J. Naidoo
Jonathan W. Essex
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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free energy
high quality
belief propagation
hidden markov models
higher order
graphical models
neural network
probabilistic model
information extraction
fixed point
competitive learning