Efficient conformational ensemble generation of protein-bound peptides.

Yumeng Yan Di Zhang Sheng-You Huang

Published in: J. Cheminformatics (2017)

Keyphrases

amino acids
mass spectrometry data
protein folding
feature selection
hiv protease
coarse grained
tandem mass spectra
mass spectra
mass spectrometry
upper bound
random forests
protein sequences
ms ms
pattern classification
low energy
logistic regression
fine grained
training data