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Paramagnetic NMR

Project

During my PhD and postdoc, I worked on the computational aspects of paramagnetic NMR. Nuclear Magnetic Resonances (NMR) is a spectroscopic technique used to study small chemical compounds and proteins. Paramagnetic NMR provides a wide range of experimental restraints that are complementary with established NMR restraints. The project I worked on presented four aspects:

  1. Automatic assignment of NMR spectra through paramagnetic NMR (PCS and RDC effects)
  2. Automatic determination of susceptibility tensor.
  3. Structur determination of proteins using PCS.
  4. Protein-protein complex determination using PCS.
  5. ^M