Mestrelab Mnova Screen 2D software

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.

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.
• eed for faster screening processes.​

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.

Mestrelab Research: Mnova Screen 2D - features