CS-ROSETTA is a protocol which generates 3D models of proteins, using only the 13CA, 13CB, 13C', 15N, 1HA and 1HN NMR chemical shifts as input. Based on these parameters, CS ROSETTA uses a SPARTA-based selection procedure to select a set of fragments from a fragment-library (where the chemical shifts and the 3D structure of the fragments are known). The fragments are assembled using the ROSETTA protocol. The generated models are rescored based on the difference between the back-calculated chemical shifts of the generated models and the input chemical shifts. Go to the service >>
Allows for automated nuclear magnetic resonance (NMR) structure calculation. Given a sufficiently complete list of assigned chemical shifts and one or several lists of cross-peak positions and columes from two-, three-, or four- dimensional nuclear Overhauser effect spectroscopy (NOESY) spectra, the assignment of the NOESY cross-peaks and the three-dimensional structure of the protein in solution can be calcu- lated automatically with CYANA. Go to the service >>
The UNIO program enables you to perform automated NMR data analysis for 3D protein structure determination. It includes data analysis algorithms for all parts of an NMR structure determination process ranging from backbone and side-chain assignment to automated NOE assignment and structure calculation. Go to the service >>
Xplor-NIH allows you to run NMR structure calculations with NOE, dihedral angle and paramagnetic restraints on the WeNMR grid infrastructure. Go to the service >>
The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.
WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572
