Tag: Chemical Shift

Shifty 1.3 – Automated Protein Chemical Shift Prediction

Shifty 1.3

:: DESCRIPTION

With Shifty you can predict 1H, 13C, and 15N chemical shifts for your favourite protein using only its amino acid sequence as input. The technique uses dynamic programming to detect sequence homologies between your query and sequences of hundreds of previously assigned protiens in the BioMagResBank.

::DEVELOPER

the Wishart Research Group, University of Alberta

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Web Browser

:: DOWNLOAD

  NO

:: MORE INFORMATION

Citation

Automated 1H and 13C chemical shift prediction using the BioMagResBank.
Wishart DS, Watson MS, Boyko RF, Sykes BD.
J Biomol NMR. 1997 Dec;10(4):329-36.

CS23D 2.0 – Protein Structure generation using NMR Chemical Shifts and Sequence data

CS23D 2.0

:: DESCRIPTION

CS23D (Chemical Shift to 3D Structure) is a web server for rapidly generating accurate 3D protein structures using only assigned NMR chemical shifts as input.

::DEVELOPER

the Wishart Research Group, University of Alberta

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Web Browser

:: DOWNLOAD

  NO

:: MORE INFORMATION

Citation

Nucleic Acids Res. 2008 Jul 1;36(Web Server issue):W496-502. doi: 10.1093/nar/gkn305. Epub 2008 May 30.
CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data.
Wishart DS, Arndt D, Berjanskii M, Tang P, Zhou J, Lin G.

Orb 1.2 / orbplus 1.1.2 – Chemical Shift Prediction

Orb 1.2

:: DESCRIPTION

orb predicts chemical shifts based on homologous proteins employing a graphical user interface. Orb thoughtfully considers global sequence homology, local sequence homology, structural homology, and molecular homology in determining its predictions.

orbplus is a structural Feature Prediction Tool – This software summarizes and predicts the properties of an input protein using only the assigned chemical shift information of a target protein.

::DEVELOPER

Brian Sykes Lab

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux / MacOsX

:: DOWNLOAD

 Orb , orbplus

:: MORE INFORMATION

Citation

 

Wolfram Gronwald , R. Boyko, Frank Sonnichsen , David Wishart , and B.D. Sykes .
ORB, a homology-based program for the prediction of protein NMR chemical shifts
J.Biomol.10, 165-181(1997)

GSC 1.2 – NMR Chemical Shift Comparison

GSC 1.2

:: DESCRIPTION

GSC is a tcl/tk program which makes it easy to analyze chemical shifts of selected atoms between chemical shift files

::DEVELOPER

Brian Sykes Lab

:: SCREENSHOTS

:: REQUIREMENTS

:: DOWNLOAD

 GSC

:: MORE INFORMATION

Citation

Wolfram Gronwald , R. Boyko, and B.D. Sykes.
GSC: a graphical program for NMR chemical shifts comparison
Comput Appl Biosci (1997) 13 (5): 557-558