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

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.

• Type: Journal
• Year: 2008
• Where: SAC
• Authors: Ernst Althaus, Stefan Canzar, Mark R. Emmett, Andreas Karrenbauer, Alan G. Marshall, Anke Meyer-Bäse, Huimin Zhang
• Keywords: Applied Computing, Exchange Speeds, Peptic Fragments, SAC 2008, Single Residues