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Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation.
Amr H. Mahmoud
Matthew Masters
Soo Jung Lee
Markus A. Lill
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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coarse grained
deep learning
fine grained
low energy
protein folding
unsupervised learning
protein structure prediction
unsupervised feature learning
energy landscape
machine learning
high level
active learning
computer vision
text classification
generative model
shared memory