The BiophysicsLab is a software package for analysis of biomolecular interactions coupled with conformational transitions in the binding partners. The software enables simultaneous analysis of data originating from a variety of biophysical techniques.
The current implementation enables NMR line shape analysis of HSQC titrations (both simulation and experimental data fitting) utilizing multi-site thermodynamic models for binding and conformational exchange in biomolecules. Future development will include ability to simultaneously fit NMR line shapes, Isothermal Titration Calorimetry (ITC) profiles, Stopped-Flow transient kinetic data, NMR relaxation dispersions, Surface Plasmon Resonance (SPR) isotherms, etc..
The BiophysicsLab is available upon request from Dr. Evgenii Kovrigin (see contact info below). The BiophysicsLab software is free for academic institutions while industrial use will require a commercial license.
Documentation for BiophysicsLab is provided on this website and also supplied with the distribution. The web-version of documentation should be consulted first, because I keep updating and cleaning it up continuously, upon user's requests. Note, please, that all hyperlinks to specific M-code files in the web-version will appear broken---use documentation included with your distribution to access them through hyperlinks or simply browse your code/ folder to find them.
Installation of BiophysicsLab is simple: unpack ZIP archive in any folder and set MATLAB Path to code/ folder inside the package.
Another software tool for simulation of NMR line shapes from HSQC titration series and ITC profiles in multi-state systems is LineShapeKin Simulation. This is a fully released and documented package freely available for academic users from http://lineshapekin.net.
Please, contact Evgenii Kovrigin with requests and questions at:
Copyright (C) 2009 Evgenii Kovrigin, All Rights Reserved