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Journal of Computational Biology
RIBRA—An Error-Tolerant Algorithm for the NMR Backbone Assignment Problem

To cite this article:
Kun-Pin Wu, Jia-Ming Chang, Jun-Bo Chen, Chi-Fon Chang, Wen-Jin Wu, Tai-Huang Huang, Ting-Yi Sung, Wen-Lian Hsu. Journal of Computational Biology. March 2006, 13(2): 229-244. doi:10.1089/cmb.2006.13.229.

Published in Volume: 13 Issue 2: April 5, 2006

Full Text: • PDF for printing (471.1 KB) • PDF w/ links (504.5 KB)


Kun-Pin Wu
Institute of Information Science, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.
Jia-Ming Chang
Institute of Information Science, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.
Jun-Bo Chen
Institute of Information Science, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.
Chi-Fon Chang
Genomics Research Center, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.
Wen-Jin Wu
Institute of Biomedical Sciences, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.
Tai-Huang Huang
Genomics Research Center, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.
Institute of Biomedical Sciences, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.
Ting-Yi Sung
Institute of Information Science, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.
Wen-Lian Hsu
Institute of Information Science, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.

We develop an iterative relaxation algorithm called RIBRA for NMR protein backbone assignment. RIBRA applies nearest neighbor and weighted maximum independent set algorithms to solve the problem. To deal with noisy NMR spectral data, RIBRA is executed in an iterative fashion based on the quality of spectral peaks. We first produce spin system pairs using the spectral data without missing peaks, then the data group with one missing peak, and finally, the data group with two missing peaks. We test RIBRA on two real NMR datasets, hbSBD and hbLBD, and perfect BMRB data (with 902 proteins) and four synthetic BMRB data which simulate four kinds of errors. The accuracy of RIBRA on hbSBD and hbLBD are 91.4% and 83.6%, respectively. The average accuracy of RIBRA on perfect BMRB datasets is 98.28%, and 98.28%, 95.61%, 98.16%, and 96.28% on four kinds of synthetic datasets, respectively.

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