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Quantitative Analysis of Target–ligand interactions by CSP NMR titrations

A powerful tool that automatically processes 1D and 2D NMR Target-ligand titration spectra, tracks peaks movement, generates the binding curves and calculates values for 1:1 complexes. For a more sophisticated analysis, the binding curves are directly exported to the 3rd party software AFFINImeter, allowing global analysis to a variety of binding models. .


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Mnova Binding includes a FREE 1-year license of AFFINImeter for NMR


AFFINImeter for Nuclear Magnetic Resonance allows the advanced analysis of binding isotherms from 2D NMR titrations to measure binding constants (KA). The binding isotherms are imported directly from the software Mnova and a series of advanced tools are available in AFFINImeter-NMR to get the most out of your NMR data including:

  • Global analysis of binding isotherms.
  • Analysis with complex binding model.
  • Advanced algorithms to guarantee convergence avoiding local minima, as well as to assess the parameter uncertainties, the goodness of fit and result reliability.
Binding

Benefits

Intuitive workflow that allows you to analyze CSP titration experiments interactively or fully automatically.

Automatic peak tracking, binding curve generation and fitting to compute dissociation constant (Kd) of 1:1 complexes.

Easy exporting of binding curves to the 3rd party software AFFINImeter for advanced analyses, e.g, global analysis of a set of titration curves and availability of a variety of binding models.

Binding

Features

Automated peak tracking and binding curve generation

Automated individual/average Kd calculation

Fully automated analysis

Latest Binding news

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Fragment-Based Drug Discovery (FBDD) and validation of small molecules binders using NMR has emerged as a powerful method in early-stage drug development. This post explores the general use of analytical techniques and innovative screening software solutions that optimize the process, enabling researchers to identify promising drug candidates with precision.

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Fragment-Based Drug Discovery (FBDD) Application | Webinar

Dr. Andrew “Dru” Namanja, Principal Research Scientist at AbbVie, will explore the potency ranking methods involving both qualitative single-point ligand concentration (Q Score) and quantitative binding affinity (KD), and how the combined utility can be used successfully to drive a Fragment-Based Drug Discovery (FBDD) campaign

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Mestrelab Research S.L. and AFFINImeter reach an agreement

Mestrelab Research and Software 4 Science Developments-AFFINImeter have agreed to boost the use of advanced analysis of binding isotherms from 2D-NMR titrations. For this reason, all […]
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Academic, Government & Industrial

Target Audience

Medicinal Chemists
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Anaytical Chemists
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