TY - JOUR
AU - Yuan, Joshua
AB - Background: HDX mass spectrometry is a powerful platform to probe protein structure dynamics during ligand binding, protein folding, enzyme catalysis, and such. HDX mass spectrometry analysis derives the protein structure dynamics based on the mass increase of a protein of which the backbone protons exchanged with solvent deuterium. Coupled with enzyme digestion and MS/MS analysis, HDX mass spectrometry can be used to study the regional dynamics of protein based on the m/z value or percentage of deuterium incorporation for the digested peptides in the HDX experiments. Various software packages have been developed to analyze HDX mass spectrometry data. Despite the progresses, proper and explicit statistical treatmentisstill lackinginmostofthe current HDXmass spectrometry software. In order to address this issue, we have developed the HDXanalyzer for the statistical analysis of HDX mass spectrometry data using R, Python, and RPY2. Implementation and results: HDXanalyzer package contains three major modules, the data processing module, the statistical analysis module, and the user interface.RPY2isemployedtoenabletheconnection of thesethree components, where the data processing module is implemented using Python and the statistical analysis module is implemented with R. RPY2 creates a low-level interface for R and allows the effective integration of statistical module for data processing. The data processing 
TI - HDX-Analyzer: a novel package for statistical analysis of protein structure dynamics
JF - BMC Bioinformatics
DO - 10.1186/1471-2105-12-S1-S43
DA - 2011-02-15
UR - https://www.deepdyve.com/lp/springer-journals/hdx-analyzer-a-novel-package-for-statistical-analysis-of-protein-CVzfhIwhB1
SP - 1
EP - 10
VL - 12
IS - 1
DP - DeepDyve
ER -