Christophe Schmitz home page on

Paramagnetic NMR

Publications

Christophe Schmitz, Adrien S.J. Melquiond, Sjoerd J. de Vries, Ezgi Karaca, Marc van Dijk, Panagiotis L. Kastritis, and Alexandre M.J.J. Bonvin (2012). Protein-Protein Docking with HADDOCK. in: NMR of Biomolecules - Towards Mechanistic Systems Biology (eds. Ivano Bertini, Kathleen S. McGreevy, Giacomo Parigi), Wiley-VCH, Weinheim.

Christophe Schmitz, Robert Vernon, Gottfried Otting, David Baker, and Thomas Huber (2012). Protein Structure Determination from Pseudocontact Shifts. Journal of Molecular Biology. ??:??-??.

Article: [PDF] Supplementary material: [PDF]

Tsjerk A. Wassenaar1, Marc van Dijk, Nuno Loureiro-Ferreira, Gijs van der Schot, Sjoerd J. de Vries, Christophe Schmitz, Johan van der Zwan, Rolf Boelens, Andrea Giachetti, Lucio Ferella, Antonio Rosato, Ivano Bertini, Torsten Herrmann, Hendrik R. A. Jonker, Anurag Bagaria, Victor Jaravine, Peter Güntert, Harald Schwalbe, Wim F. Vranken, Jurgen F. Doreleijers, Gert Vriend, Geerten W. Vuister, Daniel Franke, Alexey Kikhney, Dmitri I. Svergun, Rasmus Fogh, John Ionides, Ernest D. Laue, Chris Spronk, Marco Verlato, Simone Badoer, Stefano Dal Pra, Mirco Mazzucato, Eric Frizziero, and Alexandre M.J.J. Bonvin1 (2011). WeNMR: Structural Biology on the Grid. Proceedings of the 3rd International Workshop on Science Gateways for Life Sciences, London, United Kingdom, June 8-10, 2011.

Article: [PDF]

Christophe Schmitz and Alexandre M.J.J. Bonvin (2011). Protein-Protein HADDocking using exclusively pseudocontact shifts. Journal of Biomolecular NMR. 50:263-266.

Article: [PDF] Supplementary material: [PDF]

Christophe Schmitz (2009). Computational study of proteins with paramagnetic NMR: Automatic assignments of spectral resonances, determination of protein-protein and protein-ligand complexes, and structure determination of proteins. PhD Thesis, University of Queensland.

Thesis: [PDF]

Xun-Cheng Su, Bradley Man, Sophie Beeren, Haobo Liang, Shane Simonsen, Christophe Schmitz, Thomas Huber, Barbara A. Messerle, and Gottfried Otting (2008). A dipicolinic acid tag for rigid lanthanide tagging of proteins and paramagnetic NMR spectroscopy. Journal of the American Chemical Society 130:10486-10487.

Article: [PDF] Supplementary material: [PDF]

Christophe Schmitz, Mitchell J. Stanton-Cook, Xun-Cheng Su, Gottfried Otting, and Thomas Huber (2008). Numbat: an interactive software tool for fitting Δχ-tensors to molecular coordinates using pseudocontact shifts. Journal of Biomolecular NMR. 41:179-189.

Article: [PDF] Supplementary material: [PDF]

Michael John, Chrisophe Schmitz, Ah Young Park, Nichoals E. Dixon, Thomas Huber, and Gottfried Otting (2007). Sequence- and stereospecific assignment of methyl groups using paramagnetic lanthanides. Journal of the American Chemical Society. 129:13749-13757.

Article: [PDF] Supplementary material: [PDF]

Christophe Schmitz, Michael John, Ah Young Park, Nicholas E. Dixon, Gottfried Otting, Guido Pintacuda, and Thomas Huber (2006). Efficient chi-tensor determination and NH assignment of paramagnetic proteins. Journal of Biomolecular NMR. 35:79-87.

Article: [PDF] Supplementary material: [PDF]