Modeling Proteolysis from Mass Spectrometry Proteomic Data

  • Authors:
  • Anna Gambin;Bogusław Kluge

  • Affiliations:
  • (Correspd.) (Also works: Mossakowski Med. Res. Ctr. PAS, Pawinskiego 5, 02-106 Warsaw, Poland) Institute of Informatics, Univ. of Warsaw, 02-097 Warsaw, Poland. aniag@mimuw.edu.pl, bogklug@mimuw.e ...;Institute of Informatics, University of Warsaw, 02-097 Warsaw, Poland. aniag@mimuw.edu.pl, bogklug@mimuw.edu.pl

  • Venue:
  • Fundamenta Informaticae - From Mathematical Beauty to the Truth of Nature: to Jerzy Tiuryn on his 60th Birthday
  • Year:
  • 2010

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Abstract

In this paper we propose a mathematical model of the proteolysis process. Protein digestion is modelled with the use of chemical master equation (CME), i.e. the system of stochastic differential equations corresponding to the network of enzymatic reactions. We present an efficient approach to model parameters' estimation (i.e. enzyme activities) from time series of mass spectrometry data. These results extend previous results in three directions: by relaxing the stationarity of the proteolysis process assumption, by allowing cuts at arbitrary sites in the peptide sequence and by incorporating knowledge from biological databases.