NMR Software

Dynamics Center

Dynamics Center is a unique comprehensive software solution for relaxation, diffusion, and kinetics analyses.

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Highlights

Comprehensive
Dynamics Center is the only commercial software for advanced analysis methods for relaxation, diffusion, kinetics, and protein dynamics
Flexible
Multiple, parallel analysis of any types of spectra

Dynamics Center is a unique comprehensive software solution for relaxation, diffusion, and kinetics analyses. It offers a rich collection of methods especially in protein and nucleotide applications. The analysis of NMR data containing one or two non-frequency dimensions is performed automated or semi-automated.

Características

Features

  • Diverse collection of advanced methods, especially in protein and nucleotide applications
  • Multiple, parallel analysis of any type of spectra: series of 1Ds / 2Ds / 3Ds, pseudo 2Ds, pseudo 3Ds and time domain data
  • Unified workflow for all kinds of relaxation, diffusion, and kinetics analyses
  • Automatic data fitting and best model selection
  • Library of predefined fitting functions. User defined fitting functions optional
  • Powerful algorithm for Inverse Laplace Transformation
  • Unique interactive multi spectra display features

Beneficios

Benefits

  • Low learning efforts needed: All methods are following the same workflow with the same general components
  • User input is minimized if experiments are performed with Bruker pulse programs
  • Highly efficient: multiple parallel execution of different methods
  • Ensured data quality: Advanced display features enable interactive inspection of the data integrity in the light of analytical results
  • Flexible: Data can be imported and exported in different formats as Excel, tab separated text files, or pdf

Aplicaciones

Applications
 

General Dynamics

General methods perform fast and offer data analysis for any molecule or mixture. This includes automated optimization of acquisition parameters, e.g., for T1 and T2 experiments.

  • Relaxation (T1, T2, T1rho)
  • Diffusion & Kinetics
  • Solid states (REDOR, CP)
  • Special methods (Arrhenius, 2D Laplace)

The analysis is based on peak integrals, is optimized in speed and flexibility, allows multi-component modelling, has many built-in functions and allows user defined functions. 

One can set all parameters from external programs at runtime and integrate them into various automation environments. Routine analysis can also be triggered via TopSpin.



Protein Dynamics

The protein dynamics toolset is a collection of methods to determine protein dynamics from relaxation parameters, motional order parameters, directional dynamics via exact distance determination.

Successful methods of biological NMR-spectroscopy are implemented based on liquid-state as well as solid-state NMR. Data are used as series of 2D, pseudo 3D or 3D spectra.

  • Further special methods include REX, CEST,
    TRACT and protein-ligand binding
  • Special result display on structures (PDB) and
    protein sequences (FASTA)
  • Advanced display tools for checking of results
    and experimental data
  • Multiple import options for assignments (peaklists
    or shiftlists) from scientific programs like CCPNMR,
    Sparky and others 
  • Multiple export options for structure calculation with CYANA, XPLOR, ARIA

Time Domain Dynamics

Time Domain Dynamics is a new tool for the extraction of relaxation information from NMR time domain data recorded with Bruker’s benchtop MiniSpec. Special methods are available additionally:

  • FormCheck to quantify components in solid mixtures
  • 2D Inverse Laplace to study material properties
  • TD RheoNMR to combine NMR and Rheometry

The software is ideally suited for routine applications, optimization of experiments and additionally provides the infrastructure for automated analysis of large sample batches.

Especificaciones

Specifications

  • Client/Server architecture for any programming environment
  • Is also included into other products like InsightMR, and FormCheck
  • Automated interaction with other software such as IconNMR, BioTop
  • Available on Windows, Linux and Mac

Soporte

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