pipath: An optimized algorithm for generating α-helical structures from PISEMA data
| Autor: | J. R. Quine, Tom Asbury, J. Hu, Timothy A. Cross, Michael Chapman, Srisairam Achuthan, Richard Bertram |
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| Rok vydání: | 2006 |
| Předmět: |
Models
Molecular Physics Nuclear and High Energy Physics Crystallography Magnetic Resonance Spectroscopy Biophysics Membrane Proteins Graph theory Directed graph Nuclear magnetic resonance spectroscopy Condensed Matter Physics Biochemistry Protein Structure Secondary Models Chemical α helices Solid-state nuclear magnetic resonance Large set (Ramsey theory) α helical Computer Simulation Spin Labels Assignment problem Algorithm Algorithms |
| Zdroj: | Journal of Magnetic Resonance. 183:87-95 |
| ISSN: | 1090-7807 |
| DOI: | 10.1016/j.jmr.2006.07.020 |
| Popis: | An optimized algorithm for finding structures and assignments of solid-state NMR PISEMA data obtained from alpha-helical membrane proteins is presented. The description of this algorithm, PIPATH, is followed by an analysis of its performance on simulated PISEMA data derived from synthetic and experimental structures. pipath transforms the assignment problem into a path-finding problem for a directed graph, and then uses techniques of graph theory to efficiently find candidate assignments from a very large set of possibilities. |
| Databáze: | OpenAIRE |
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