LineShapeKin

Evgenii Kovrigin

Marquette University

Milwaukee, WI


 

This site is dedicated to the software I am developing for the analysis of binding and conformational equilibria in proteins studied by NMR and other techniques. The software packages currently available are:

 


   LineShapeKin 3.2



   LineShapeKin Simulation 4.1.1


  • The package for simulation of NMR line shapes and ITC profiles for a variety of the multi-site exchange models.

     

 


    BiophysicsLab

  • A new software package that enables both simulation and fitting of NMR line shapes for multii-state equilibria. See it at the dedicated web site http://biophysicslab.net/

 

Recommended reading on NMR analysis of exchange phenomena

There are numerous sources for the theory, which is at least 50 years old:

  1. The original McConnel's work: McConnell, H. (1958) Reaction rates by nuclear magnetic resonance, J. Chem. Phys. 28, 430-431.
  2. The classic textbook has a subchapters on that: Cavanaugh, J., Fairbrother, W. J., Palmer III, A. G., and Skelton, N. J. (2006) Protein NMR Spectroscopy: Principles and Practice, Academic Press
  3. Pretty sophisticated review: Rao, B. D. N. (1989) Nuclear magnetic resonance line-shape analysis and determination of exchange rates, In Methods in Enzymology Volume 176 ed., pp 279-311, Academic Press.
  4. many others  
  5. My lectures from the course: Biomolecular NMR: Protein Dynamics and Binding I teach to the graduate students at the Medical College of Wisconsin  PDF