Numbat: an interactive software tool for fitting Δ χ -tensors to molecular coordinates using pseudocontact shifts
Pseudocontact shift (PCS) effects induced by a paramagnetic lanthanide bound to a protein have become increasingly popular in NMR spectroscopy as they yield a complementary set of orientational and long-range structural restraints. PCS are a manifestation of the χ-tensor anisotropy, the Δχ-tensor, which in turn can be determined from the PCS. Once the Δχ-tensor has been determined, PCS become powerful long-range restraints for the study of protein structure and protein-ligand complexes. Here we...[Show more]
|Collections||ANU Research Publications|
|Source:||Journal of Biomolecular NMR|
|01_Schmitz_Numbat:_an_interactive_2008.pdf||643.63 kB||Adobe PDF||Request a copy|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.