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Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields.
James L. McDonagh
Ardita Shkurti
David J. Bray
Richard L. Anderson
Edward O. Pyzer-Knapp
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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coarse grained
fine grained
machine learning
protein structure prediction
computer vision
protein sequences
data mining
machine learning algorithms
machine learning methods
knowledge base
higher order
hiv protease
energy landscape