The Deuterator: software for the determination of backbone amide deuterium levels from H/D exchange MS data |
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| Authors: | BD Pascal MJ Chalmers SA Busby CC Mader MR Southern NF Tsinoremas PR Griffin |
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| Affiliation: | (1) Translational Research Institute, The Scripps Research Institute – Scripps Florida, 5353 Parkside Drive, Jupiter, FL 33458, USA;(2) Department of Biochemistry, The Scripps Research Institute – Scripps Florida, 5353 Parkside Drive, Jupiter, FL 33458, USA;(3) Department of Informatics, The Scripps Research Institute – Scripps Florida, 5353 Parkside Drive, Jupiter, FL 33458, USA |
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| Abstract: | Background The combination of mass spectrometry and solution phase amide hydrogen/deuterium exchange (H/D exchange) experiments is an effective method for characterizing protein dynamics, and protein-protein or protein-ligand interactions. Despite methodological advancements and improvements in instrumentation and automation, data analysis and display remains a tedious process. The factors that contribute to this bottleneck are the large number of data points produced in a typical experiment, each requiring manual curation and validation, and then calculation of the level of backbone amide exchange. Tools have become available that address some of these issues, but lack sufficient integration, functionality, and accessibility required to address the needs of the H/D exchange community. To date there is no software for the analysis of H/D exchange data that comprehensively addresses these issues. |
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