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

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

hal-00388515, version 1

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

Ernst Althaus () ¹, Stefan Canzar () ², Mark R. Emmett () ³, Andreas Karrenbauer ¹, Alan G. Marshall ³, Anke Meyer-Baese ³, Huimin Zhang ³

Symposium on Applied Computing - SAC 2008 (2008) 1273-1277

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.

1: Max Planck Institut für Informatik (MPII)
Max-Planck-Institut
2: ALGORILLE (INRIA Lorraine - LORIA)
INRIA – CNRS : UMR7503 – Université Henri Poincaré - Nancy I – Université Nancy II – Institut National Polytechnique de Lorraine (INPL)
3: Florida State University (FSU)
Florida State University

hal-00388515, version 1
http://hal.archives-ouvertes.fr/hal-00388515
oai:hal.archives-ouvertes.fr:hal-00388515
From: Stefan Canzar <>
Submitted on: Tuesday, 26 May 2009 19:23:54
Updated on: Monday, 14 March 2011 17:19:02

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DOI: 10.1145/1363686.1363981

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