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Efficient Batch Processing Tools for Hit finding using Target-Observed 2D NMR 

Screen 2D processes and analyzes target-observed 2D spectra (e.g., 1H-15N, 1H-13C or 1H-13C/ 15N dual heteronuclear correlations) for single-point binding data. It enables batch processing, tracks peak shifts, and ranks ligands based on CSPs.

It complements Mnova Screen, which handles ligand-observed 1D NMR experiments like STD, T1rho, CPMG, and WaterLogsy.


Download Mnova for a 45-Day Free Trial of Mnova Screen 2D

Screen 2D

Benefits

Excellent tools for high-throughput hit identification.

Efficient «Screen 2D Viewer» tool for analysis inspection and refinement, peak by peak.

Huge time savings by batch processing large numbers of 2D spectra with the same processing parameters to gain consistent results.

High efficiency and accuracy in automated peak picking, matching, tracking for computing CSPs and ligan ranking.

Screen 2D

Features

  • Batch processes and analyzes protein-ligand screening spectra for multiple ligands.
  • Automatically identifies and matches peaks in Reference and Test spectra, calculating CSP for each peak.
  • Applies statistical analysis to CSP values, reporting Mean CSP, Max CSP, and CSP Scores.
  • Classifies ligands by CSP Scores, correlating levels with ligand-protein affinity.
  • Autocategorizes ligands as hits or aggregators based on CSP Scores and user-defined thresholds.
Mnova-Screen-2D-features
Screen 2D

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Screen 2D

Related Applications

Academic, Government & Industrial

Target Audience

Medicinal Chemists​
Analytical Chemists​
Biochemists​
Screen 2D

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