NmrLineGuru: Software for Fitting NMR Line Shape Data

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Researchers at Purdue University have developed nuclear-magnetic resonance (NMR)-related software for simulation and analysis of protein interactions across multiple states detected with NMR chemical shifts. Proteins can have complex interactions; accordingly, multi-state equilibria involve complex mathematical models with simultaneous equations and matrix manipulations. Nonetheless, most existing tools for fitting NMR line shape data can only support a simple 2-state binding model. The Purdue researchers' software, called NMRLineGuru, simulates and fits NMR line shapes with two-, three-, and four-state binding models. It is a standalone and user-friendly software for simulating and fitting NMR line shapes. In fitting NMR line shape data, the Purdue system accounts for both thermodynamic and kinetic interaction parameters among proteins.

Related Publication: Feng, C., Kovrigin, E.L. & Post, C.B. NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and Analysis of Multi-State Equilibrium Binding Models. Sci Rep 9, 16023 (2019). https://doi.org/10.1038/s41598-019-52451-8

Technology Validation: https://github.com/stonefonly/NmrLineGuru

- Simulates up to four protein interactions
- Accounts for both kinetic and thermodynamic interaction parameters
- User-friendly interface

- Simulating protein interactions
Sep 25, 2020
United States
Purdue Office of Technology Commercialization
The Convergence Center
101 Foundry Drive, Suite 2500
West Lafayette, IN 47906

Phone: (765) 588-3475
Fax: (765) 463-3486
Email: otcip@prf.org