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Screen 2D,

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
Latest Screen 2D news

Optimizing Fragment-Based Drug Discovery by NMR: A Deep Dive into Mnova Screening Software Solutions

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.

Read more
Webinar-recording-FBDD

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

Read more

Efficiently driving protein-based fragment screening and lead discovery using two-dimensional NMR

Fragment-based drug discovery (FBDD) and validation of small molecule binders using NMR spectroscopy is an established and widely used method in the early stages of drug discovery. Starting from a library of small compounds, ligand- or protein-observed NMR methods are employed to detect binders, typically weak, that become the starting points for structure-activity relationships (SAR) by NMR.

Read more
Screen 2D

Videos

Help & Resources

Guides & Manuals

Mnova Screen 2D - Starting Guide

Videos

Fragment-Based Drug Discovery (FBDD) Application | Webinar

Resources

Optimizing Fragment-Based Drug Discovery by NMR: A Deep Dive into Mnova Screening Software Solutions

Articles

Efficiently driving protein-based fragment screening and lead discovery using two-dimensional NMR Fast and Efficient Fragment-Based Lead Generation by Fully Automated Processing and Analysis of Ligand-Observed NMR Binding Data
Screen 2D

Related Applications

Academic, Government & Industrial

Target Audience

Medicinal Chemists​
Analytical Chemists​
Biochemists​
Screen 2D

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