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  1. Article

    Open Access

    WeNMR: Structural Biology on the Grid

    The WeNMR (http://www.wenmr.eu) project is a European Union funded international effort to streamline and automate analysis of Nuclear Magnetic Resonance (NM...

    Tsjerk A. Wassenaar, Marc van Dijk, Nuno Loureiro-Ferreira… in Journal of Grid Computing (2012)

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  2. Article

    Open Access

    Protein–protein HADDocking using exclusively pseudocontact shifts

    In order to enhance the structure determination process of macromolecular assemblies by NMR, we have implemented long-range pseudocontact shift (PCS) restraints into the data-driven protein docking package HAD...

    Christophe Schmitz, Alexandre M. J. J. Bonvin in Journal of Biomolecular NMR (2011)

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  3. No Access

    Article

    Numbat: an interactive software tool for fitting Δχ-tensors to molecular coordinates using pseudocontact shifts

    Pseudocontact shift (PCS) effects induced by a paramagnetic lanthanide bound to a protein have become increasingly popular in NMR spectroscopy as they yield a complementary set of orientational and long-range ...

    Christophe Schmitz, Mitchell J. Stanton-Cook, Xun-Cheng Su… in Journal of Biomolecular NMR (2008)

  4. No Access

    Article

    Efficient χ-tensor determination and NH assignment of paramagnetic proteins

    Anisotropic magnetic susceptibility tensors χ of paramagnetic metal ions are manifested in pseudocontact shifts, residual dipolar couplings, and other paramagnetic observables that present valuable long-range ...

    Christophe Schmitz, Michael John, Ah Young Park… in Journal of Biomolecular NMR (2006)