Tandem Mass Spectrometry Protein Identification on a PC Grid

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Tandem Mass Spectrometry Protein Identification
on a PC Grid

• D. Zosso, M. Podvinec, M. Müller,
• R. Aebersold, M.C. Peitsch, T. Schwede
• 5th HealthGrid Conference, Geneva
• 25.04.2007

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Hyperscore s ltS, Pgt Nb! Ny!
Log-linear tail fitting e(s) exp (a bs)
log(e(s)) (a bs)
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Central Assumption For each identifiable
protein, there is at least one detectable SIMPLE
peptide.
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Non-refined step
Refinement step
dta
dta
spec1
specm
n 1
specm
spec1
outm
out1
dta
spec
outm,n
out1,n
outm,1
out1,1
spec
candidates
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Complete Database N
e(s) p(s) N
log(e)
N / N 1 / n n number of subdivisions
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1 2 5 10
25
m spectra subdivisions
n DB subdivisions
25 10 5 2 1
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1 2 5 10
25
m spectra subdivisions
n DB subdivisions
25 10 5 2 1
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• Parallelization Scheme
• Multilayered Implementation
• PC Grid Integration

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MassSpec


Your Proteomics Experiment Here


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gtP02768ALBU_HUMAN MKWVTFISLLFLFSSAYSRGVFRR DAHKSE
VAHRFKDLGEENFKALVL IAFAQYLQQCPFEDHVKLVNPYFY KAEFAE
VSKLVTDLTKVHTECCHG DLLECADDRADLAKYICENQDSIS SKLKEC
CEKPLLEKSHCIAEVEND EMPADLPSLAADFVESKDVCKNYA EAKDVF
LGMFLYEYA RRHPDYSVVL
DB
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Non-refined step
Refinement step
dta
dta
spec1
specm
n 1
specm
spec1
outm
out1
dta
spec
outm,n
out1,n
outm,1
out1,1
spec
candidates