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Protein Chain Pair Simplification Under the Discrete Fréchet Distance
PrePrint
ISSN: 1545-5963
| ASCII Text | x | ||
| Tim Wylie, Binhai Zhu, "Protein Chain Pair Simplification Under the Discrete Fréchet Distance," IEEE/ACM Transactions on Computational Biology and Bioinformatics, vol. 99, no. 1, pp. 1, , 5555. | |||
| BibTex | x | ||
| @article{ 10.1109/TCBB.2013.17, author = {Tim Wylie and Binhai Zhu}, title = {Protein Chain Pair Simplification Under the Discrete Fréchet Distance}, journal ={IEEE/ACM Transactions on Computational Biology and Bioinformatics}, volume = {99}, number = {1}, issn = {1545-5963}, year = {5555}, pages = {1}, doi = {http://doi.ieeecomputersociety.org/10.1109/TCBB.2013.17}, publisher = {IEEE Computer Society}, address = {Los Alamitos, CA, USA}, } | |||
| RefWorks Procite/RefMan/Endnote | x | ||
| TY - JOUR JO - IEEE/ACM Transactions on Computational Biology and Bioinformatics TI - Protein Chain Pair Simplification Under the Discrete Fréchet Distance IS - 1 SN - 1545-5963 SP EP EPD - 1 A1 - Tim Wylie, A1 - Binhai Zhu, PY - 5555 KW - Analysis of Algorithms and Problem Complexity KW - Computing Methodologies KW - Artificial Intelligence KW - Problem Solving KW - Control Methods KW - and Search KW - Dynamic programming KW - Theory of Computation VL - 99 JA - IEEE/ACM Transactions on Computational Biology and Bioinformatics ER - | |||
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/TCBB.2013.17
For protein structure alignment and comparison, a lot of work has been done using RMSD as the distance measure, which has drawbacks under certain circumstances. Thus, the discrete Fréchet distance was recently applied to the problem of protein (backbone) structure alignment and comparison with promising results. Visualization is also important since protein chain backbones can have up to 500~600 α-carbon atoms which constitute the vertices in the comparison. Even with an excellent alignment, the similarity can be difficult to visualize. Thus, the chain pair simplification problem (CPS-3F) was proposed in 2008 to simultaneously simplify both chains with respect to each other under the discrete Fréchet distance. The complexity of CPS-3F is unknown, so heuristic methods have been developed. Here, we define a variation of CPS-3F, the constrained CPS-3F problem (CPS-3F+), and prove it is polynomially solvable by presenting a dynamic programming solution, which we prove is a factor-2 approximation for CPS-3F. We then compare the CPS-3F+ solutions with previous empirical results, and further demonstrate the benefits of the simplified comparisons. CPS based on the Hausdorff distance (CPS-2H) is NP-complete, and we prove that CPS-2H+ is also NP-complete. Finally, we discuss future work and implications along with a software library implementation, named FPACT (The Fréchet-based Protein Alignment & Comparison Toolkit).
Index Terms:
Analysis of Algorithms and Problem Complexity,Computing Methodologies,Artificial Intelligence,Problem Solving,Control Methods,and Search,Dynamic programming,Theory of Computation
Citation:
Tim Wylie, Binhai Zhu, "Protein Chain Pair Simplification Under the Discrete Fréchet Distance," IEEE/ACM Transactions on Computational Biology and Bioinformatics, 11 March 2013. IEEE computer Society Digital Library. IEEE Computer Society, <http://doi.ieeecomputersociety.org/10.1109/TCBB.2013.17>
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