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 Simulation 4
- LineShapeKin Simulation 4 --- the package for simulation of NMR line shapes and ITC profiles for a variety of the multi-site exchange models.
- Web-interface is available. It is slow but does not require a local MATLAB installation.
- Reference: Kovrigin EL NMR line shapes and multi-state binding equilibria (2012) JBNMR 53, 257-270 (available upon request).
- Version history:
- Ver. 4.1 released in 2009
- Changes in ver. 4.1.5 (2012)
- includes a correction to U-R2 and U-R2L2 models
- MATLAB issue with Levenberg-Marquardt algorithm resolved
- spectral range is now checked to encompass frequencies of the species
Integrative Data Analysis Platform (IDAP)
LineShapeKin 3.2 (old software for fitting NMR line shapes with the two-state model)
- The NMR
line shape analysis program to fit experimental spectral data with
the 2-site exchange model.
This is an update of version 3.1.
- 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/