Screen 2D

Efficient Batch Processing Tools for Lead Discovery using Protein-Observed 2D NMR

Screen 2D processes the protein-observed 2D 1H-15N, 1H-13C, or H1-13C/15N dual heteronuclear correlation (HSQC or HMQC) spectra to find binding ligands based on chemical shift perturbations.

This product is related to Mnova Screen, which can be used to process ligand-observed 1D NMR spectra (STD, T1rho, CPMG, WaterLogsy, etc.).

SCREEN 2D

Highlights

  • Huge time savings by batch processing large numbers of 2D spectra with the same processing parameters to gain consistent results.
  • Higher efficiency and accuracy than manual peak picking and tracing chemical shift perturbations.
  • Excellent tools for high throughput hits, finding results from large amounts of data, and manually inspecting and revising selected data points as needed.

Mnova Screen 2D: 45-day FREE trial

product_icon_download 1. Download

Screen 2D is a plugin integrated in MnovaNo extra installer is required.

product_icon_install 2. Installation

Open Mnova and go to ‘Help/Get-Install Licenses’. Select ‘Evaluate’.

product_icon_license 3. License

Fill in the form to receive your trial license via e-mail.

SCREEN 2D

Main Features

  • Mnova Screen 2D allows batch processing and analysis of protein-ligand screening spectra for multiple ligands
  • Automatically identifies and matches peaks in the Reference and Test spectra, and calculates the CSP for every peak
  • Applies statistical analysis to the CSP values and reports results including the Mean CSP, Max CSP, and CSP Scores
  • Classifies ligands in different levels according to their CSP Scores. These levels are correlated with the affinity between the ligands and the protein
  • Allows for autocategorization of a ligand as a hit or as an aggregator based on its CSP Score and a series of user-defined thresholds

Academic, Government & Industrial

Markets

  • Structural biology, biophysics and NMR groups in pharmaceutical companies.
  • Target based drug discovery and NMR groups in academic and research institutions.
  • CRO’s and service providers for target based lead detection and lead optimization.