3rd Party Services
Here you can find links to services that might be useful in your work but are not managed by any West-Life partner. If you think there is an important service missing feel free to send us a note concerning which service should be added to the list.
This tool allows you to: establish the identity of impurities in NMR spectra for biological NMR (database in D2O) and organic chemistry (several solvents) Requires you to provide: chemical shift position of signals and information about spin-spin coupling pattern.
A new random coil chemical shift calculator.
pepKalc is a program that efficiently
calculates the electrostatic interactions within (intrinsically)
disordered polypeptides and peptides.
Grade generates geometrical restraints for novel small molecules in protein complexes, for both ligand placement into density maps and subsequent refinement. These restraints can be used in autoBUSTER, rhofit, Refmac and Coot.
pyDockSAXS server is a web server for rigid-body protein-protein docking that combines computational and experimental information. On one side the server uses the new version of pyDock (pyDock 3.0) to energetically evaluate the interaction surface of multiple docking poses. On the other side, the server evaluates the capacity of each pose to describe the experimental curve of SAXS with the program CRYSOL. The appropriate combination of both scoring functions yields predictions of the 3D arrangement of the complex in solution.