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Improving Protein-Peptide Docking Results via Pose-Clustering and Rescoring with a Combined Knowledge-Based and MM-GBSA Scoring Function.
Huanyu Tao
Yanjun Zhang
Sheng-You Huang
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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scoring function
tandem mass spectra
amino acids
virtual screening
mass spectrometry
mass spectra
clustering algorithm
k means
scoring functions
structure learning
high throughput
protein sequences
feature selection
sequence alignment
tandem mass spectrometry