Computing H/D-exchange speeds of single residues from data of peptic fragments

Ernst Althaus, Stefan Canzar, Mark Emmett, Andreas Karrenbauer, Alan G. Marshall, Anke Meyer-Baese, Huimin Zhang

Research output: Chapter in Book/Report/Conference proceedingConference contribution

21 Citations (Scopus)

Abstract

Determining the hydrogen-deuterium exchange speeds of single residues from data for peptic fragments obtained by FT-ICS MS is currently mainly done by manual interpretation. We provide an automated method based on combinatorial optimization. More precisely, we present an algorithm that enumerates all possible exchange speeds for single residues that explain the observed data of the peptic fragments.

Original languageEnglish (US)
Title of host publicationProceedings of the ACM Symposium on Applied Computing
Pages1273-1277
Number of pages5
DOIs
StatePublished - 2008
Externally publishedYes
Event23rd Annual ACM Symposium on Applied Computing, SAC'08 - Fortaleza, Ceara, Brazil
Duration: Mar 16 2008Mar 20 2008

Other

Other23rd Annual ACM Symposium on Applied Computing, SAC'08
CountryBrazil
CityFortaleza, Ceara
Period3/16/083/20/08

Fingerprint

Combinatorial optimization
Deuterium
Hydrogen

ASJC Scopus subject areas

  • Software

Cite this

Althaus, E., Canzar, S., Emmett, M., Karrenbauer, A., Marshall, A. G., Meyer-Baese, A., & Zhang, H. (2008). Computing H/D-exchange speeds of single residues from data of peptic fragments. In Proceedings of the ACM Symposium on Applied Computing (pp. 1273-1277) https://doi.org/10.1145/1363686.1363981

Computing H/D-exchange speeds of single residues from data of peptic fragments. / Althaus, Ernst; Canzar, Stefan; Emmett, Mark; Karrenbauer, Andreas; Marshall, Alan G.; Meyer-Baese, Anke; Zhang, Huimin.

Proceedings of the ACM Symposium on Applied Computing. 2008. p. 1273-1277.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Althaus, E, Canzar, S, Emmett, M, Karrenbauer, A, Marshall, AG, Meyer-Baese, A & Zhang, H 2008, Computing H/D-exchange speeds of single residues from data of peptic fragments. in Proceedings of the ACM Symposium on Applied Computing. pp. 1273-1277, 23rd Annual ACM Symposium on Applied Computing, SAC'08, Fortaleza, Ceara, Brazil, 3/16/08. https://doi.org/10.1145/1363686.1363981
Althaus E, Canzar S, Emmett M, Karrenbauer A, Marshall AG, Meyer-Baese A et al. Computing H/D-exchange speeds of single residues from data of peptic fragments. In Proceedings of the ACM Symposium on Applied Computing. 2008. p. 1273-1277 https://doi.org/10.1145/1363686.1363981
Althaus, Ernst ; Canzar, Stefan ; Emmett, Mark ; Karrenbauer, Andreas ; Marshall, Alan G. ; Meyer-Baese, Anke ; Zhang, Huimin. / Computing H/D-exchange speeds of single residues from data of peptic fragments. Proceedings of the ACM Symposium on Applied Computing. 2008. pp. 1273-1277
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