NmrLineGuru

NmrLineGuru is a standalone software tool with a user-friendly graphical user interface (GUI) designed to analyze high-resolution NMR spectroscopy data for characterizing complex biological interactions. The software allows users to model two-state, three-state, and four-state binding processes by fitting or simulating NMR spectra using user-specified input parameters and a chosen kinetic model.

NmrLineGuru enables the extraction of thermodynamic equilibrium constants and kinetic rate constants from NMR data, providing a unique capability to quantitatively analyze complex molecular interactions without the need for scripted input or dependency on other software.

Topic

NMR;Drug discovery;Biophysics;Small molecules;Molecular interactions, pathways and networks

Detail

  • Operation: Quantification;Simulation analysis;Modelling and simulation

  • Software interface: Command-line interface

  • Language: -

  • License: Not stated

  • Cost: Free of charge

  • Version name: -

  • Credit: NIH.

  • Input: -

  • Output: -

  • Contact: Carol Beth Post cbp@purdue.edu

  • Collection: -

  • Maturity: -

Publications

  • NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and Analysis of Multi-State Equilibrium Binding Models.
  • Feng C, et al. NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and Analysis of Multi-State Equilibrium Binding Models. NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and Analysis of Multi-State Equilibrium Binding Models. 2019; 9:16023. doi: 10.1038/s41598-019-52451-8
  • https://doi.org/10.1038/S41598-019-52451-8
  • PMID: 31690758
  • PMC: PMC6831641

Download and documentation

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