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Hierarchical Flexible Peptide Docking by Conformer Generation and Ensemble Docking of Peptides.
Pei Zhou
Botong Li
Yumeng Yan
Bowen Jin
Libang Wang
Sheng-You Huang
Published in:
J. Chem. Inf. Model. (2018)
Keyphrases
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hiv protease
tandem mass spectra
mass spectrometry
coarse grained
amino acids
ms ms
tandem mass
tandem mass spectrometry
mass spectra
high throughput
hierarchical model
mass spectrometry data
ensemble learning
protein sequences
fine grained
neural network
data sets
training data