Publikation: Application of the AMPLE cluster-and-truncate approach to NMR structures for molecular replacement
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2013
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Acta Crystallographica Section D : Biological Crystallography. 2013, 69(11), pp. 2194-2201. ISSN 0907-4449. eISSN 1399-0047. Available under: doi: 10.1107/S0907444913018453
Zusammenfassung
AMPLE is a program developed for clustering and truncating ab initio protein structure predictions into search models for molecular replacement. Here, it is shown that its core cluster-and-truncate methods also work well for processing NMR ensembles into search models. Rosetta remodelling helps to extend success to NMR structures bearing low sequence identity or high structural divergence from the target protein. Potential future routes to improved performance are considered and practical, general guidelines on using AMPLE are provided.
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570 Biowissenschaften, Biologie
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BIBBY, Jaclyn, Ronan M. KEEGAN, Olga MAYANS, Martyn D. WINN, Daniel J. RIGDEN, 2013. Application of the AMPLE cluster-and-truncate approach to NMR structures for molecular replacement. In: Acta Crystallographica Section D : Biological Crystallography. 2013, 69(11), pp. 2194-2201. ISSN 0907-4449. eISSN 1399-0047. Available under: doi: 10.1107/S0907444913018453BibTex
@article{Bibby2013-11-01Appli-34986,
year={2013},
doi={10.1107/S0907444913018453},
title={Application of the AMPLE cluster-and-truncate approach to NMR structures for molecular replacement},
number={11},
volume={69},
issn={0907-4449},
journal={Acta Crystallographica Section D : Biological Crystallography},
pages={2194--2201},
author={Bibby, Jaclyn and Keegan, Ronan M. and Mayans, Olga and Winn, Martyn D. and Rigden, Daniel J.}
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