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.
- Modelfree Determination of “ Lipari-Szabo modelfree” parameters using heteronuclear relaxation data.
- HADDOCK Structure determination of protein-protein, protein-DNA and protein-ligand complexes using experimental data.
3D Structure Visualization