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WeNMR is a worldwide e-Infrastructure for NMR and structural biology

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WeNMR suite for Structural Biology

Table of contents

WeNMR is now part of the thematic services implemented in the EOSC-Hub project.

EOSC-hub WeNMR thematic services

The WeNMR thematic services operated under EOSC-Hub consist of eight individual platforms:

  • AMPS-NMR, a web portal for Nuclear Magnetic Resonance (NMR) structures
  • CS-ROSETTA, to model the 3D structure of proteins
  • DISVIS, to visualise and quantify the accessible interaction space in macromolecular complexes
  • FANTEN, for multiple alignment of nucleic acid and protein sequences
  • GROMACS, to simulate the Newtonian equations of motion for systems with hundreds to millions of particles
  • HADDOCK, to model complexes of proteins and other biomolecules
  • POWERFIT, for rigid body fitting of atomic structures into cryo-EM density maps
  • SPOTON, to predict Hot-Spots at protein-protein interfaces
  • 3D-DART, a DNA structure modelling server
  • ARIA, a web portal for automated NOE assignment and NMR structure calculations
  • FANDAS, a tool to predict peaks for multidimensional NMR experiments on proteins
  • MAXOCC, a method for making rigorous numerical assessments about the maximum percent of time that a conformer of a flexible macromolecule can exist and still be compatible with the experimental data
  • MetalPDB, a database that collects and allows easy access to the knowledge on metal sites in biological macromolecules, starting from the structural information contained in the Protein Data Bank (PDB)
  • SEDNMR, web tool for simple calculation of the relevant parameters for the success of the sedimentation NMR experiments, either in a rotor or with ultracentrifugal devices
  • XPLOR-NIH, a generalized software for biomolecular structure determination from experimental NMR data combined with geometric data

How to access the services

The WeNMR platforms are freely available online and can be accessed by researchers upon registration. Visit the services pages to find information about registration.

Service providers

The WeNMR tools are provided by the University of Utrecht, the University of Florence / Interuniversity consortium CIRMMP and the INFN Padova.

The tools are powered by High-Throughput Compute capabilities provided by the EGI Federation and enhanced with software components developed by the INDIGO DataCloud project.

In the context of the EOSC-hub project, the WeNMR services will be integrated with EGI, EUDAT services and other components from the INDIGO catalogue.