- Acquisition/Processing of NMR spectra

- Processing and analyis of of NMR data

  • NMRPipe/Draw Processing of 1D to 4D spectra, automated analysis of NMR spectra.
  • NMRView et SparkyAssignment and Analysis of NMR Spectra.
  • CSI Prediction of the proteins secondary structure using chemical shifts (HA, CA, CB).
  • TALOS Prediction of Φ , Ψ protein backbone torsion angles using chemical shifts (HA, CA, CB, CO, N).

- Structure determination from NMR data
3D structures of biomolecules from distances, torsion angles and orientation constraints derived from NMR data.

-  Internal Dynamic

  • Modelfree Determination of “ Lipari-Szabo modelfree” parameters using heteronuclear relaxation data.

- Docking

  • HADDOCK Structure determination of protein-protein, protein-DNA and protein-ligand complexes using experimental data.

-  Homology Modeling

- 3D Structure Visualization

Voir aussi dans «NMR of biomolecules»

NMR spectrometers Techniques in few words