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Automatic analysis tool for ligand screening NMR data

Mnova Screen is a simple, efficient tool with flexible analysis and reporting features, trusted by top pharmaceutical companies. It handles data from various screening experiments, including 1H or 19F, single compounds or mixtures, with or without reference spectra, and multiple spectra types.


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New Features

What’s new in Mnova Screen 2.0?

The latest Screen plugin update with Mnova 15.1 includes:​

  • Redesigned user interface for an enhanced user experience.​
  • Introduction of Screen DB for organizing and storing all screening results in a structured database.​
  • New Fragment Viewer for detailed review of fragment screening results.​
  • Resume function to recover stopped or interrupted executions.​
  • Launch of Mix Design 1.0 for optimized mixture design with minimal NMR signal overlap.​
  • 19F Screening now supported using a peak list as a reference.
  • New statistic parameters: median and maximal values for more accurate status determination.​
  • Improved execution speed for faster screening processes.​
Whats-new-Mnova-Screen
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Benefits

Considers the use of STD, wLOGSY, T1rho, and CPMG experiments.​

Uses pattern recognition algorithms to analyze and map your experimental data.​

Uses deconvolution to effectively pick peaks, even for weak signals.​

Includes a results viewer for detailed result inspection of the analysis performed.​

Results can be exported in various formats for easy handling in other software packages.​

Includes ´Mix Design´, a tool that assists in designing optimized mixtures from compound libraries.​

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Features

Redesigned Interface & Screen DB​

Mnova-Screen-2_0-feature

New in Mnova 15.1

Mix Design​

Mnova-Screen-mix-design

New in Mnova 15.1

Handles all kinds of screening data

Mnova Screen gives a great versatility in the choice of screening experiments

Data Organization for batch processing

Ability to read Bruker FBS output (master data file) for seamless data input exchange

19F Automatic hit detection based on intensity changes

Results of 19F screening of a mixture of 20 ligands using the CPMG experiments of ligands without protein  ligands with protein and ligands with protein and inhibitor.

Latest Screen news

Top features in Mnova 15.1

Mnova 15.1 is here! We’re excited to introduce a range of powerful features designed to enhance your analytical experience.

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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.

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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

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Related Applications

Academic, Government & Industrial

Target Audience

Medicinal Chemists​
Analytical Chemists​
Biochemists​
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Case Studies

novartis-case-study

A successful collaboration with Novartis on automated analysis of ligand-observed 1H-19F NMR binding data for fragment based lead generation

Several groups in Novartis use NMR binding assays to find and validate hits during the early stages of drug discovery. They use ligand-observed NMR experiments such as STD, T1ρ, and CPMG to identify library compounds that interact with a target protein.

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