Title
Parallelizing Peptide-Spectrum scoring using modern graphics processing units
Abstract
Tandem mass spectrometry is a powerful experimental tool used in molecular biology to determine the composition of protein mixtures. In a tandem mass experiment, peptide ion selection algorithms generally select only the most abundant peptide ions for further fragmentation. Because of this, the low-abundance proteins in a sample rarely get identified. A Real-Time Peptide-Spectrum Matching algorithm (RT-PSM) [1] was introduced to achieve real-time peptide identification for solving this abundance related biases. Profiling results show that the Peptide-Spectrum similarity scoring is one of the most time-consuming module of RT-PSM. In this study, we develop a parallel algorithm for Peptide-Spectrum scoring using NVIDIA CUDA technology [2]. As RT-PSM employs a scoring function based on shared peak counts, our algorithm can also be applied to other software that uses similar scoring schemes. Moreover, we introduce an algorithm to reduce the number of comparisons in calculating shared peak counts. In addition, as the CUDA architecture is unique, we introduce optimizations for the CUDA architecture to achieve better performance. A simulation shows a 190-fold speedup on the scoring module and a 26-fold speedup on the entire process. The developed algorithm can be employed to develop real-time control methods for tandem mass spectrometry.
Year
DOI
Venue
2011
10.1109/ICCABS.2011.5729882
ICCABS
Keywords
Field
DocType
parallel algorithm,developed algorithm,cuda architecture,peptide-spectrum similarity scoring,scoring module,tandem mass spectrometry,modern graphics,scoring function,similar scoring scheme,peptide-spectrum scoring,real-time peptide-spectrum matching algorithm,parallelizing peptide-spectrum scoring,computer architecture,molecular biophysics,spectrum,computer graphics,real time,score function,proteins,mass spectroscopy,molecular biology,amino acid,real time control,parallel algorithms,databases,ions,amino acids
Computer science,Profiling (computer programming),CUDA,Parallel algorithm,Software,Bioinformatics,Graphics processing unit,Computer graphics,Blossom algorithm,Speedup
Conference
Citations 
PageRank 
References 
0
0.34
1
Authors
3
Name
Order
Citations
PageRank
Jian Zhang152630.37
Ian McQuillan29724.72
FangXiang Wu376076.89