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markber 02-23-2012 09:40 PM

CS23D - generating protein structure from NMR chemical shifts and sequence homology
 
CS23D website

CS23D is a web server for rapidly generating accurate 3D protein structures using only assigned NMR chemical shifts as input. CS23D uses a combination of maximal subfragment assembly, chemical shift threading, shift-based torsion angle prediction and chemical shift refinement to generate and refine the protein coordinates. CS23D accepts chemical shift files in either SHIFTY or BMRB formats and produces a set of PDB coordinates for the protein normally within 10-15 minutes (3 hours max). CS23D performance is dependent on the completeness of the chemical shift assignments and the similarity of the query protein to known 3D folds.

References:

1. Wishart DS, Arndt D, Berjanskii M, Tang P, Zhou J, Lin G. (2008) CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data Nucleic Acids Res. 2008 July 1; 36(Web Server issue): W496–W502.


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