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WeNMR suite for Structural Biology

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EOSC-hub (European Open Science Cloud - hub) brings together multiple service providers to create the Hub: a single contact point for European researchers and innovators to discover, access, use and reuse a broad spectrum of resources for advanced data-driven research.
For researchers, this will mean a broader access to services supporting their scientific discovery and collaboration across disciplinary and geographical boundaries.
The project mobilises providers from the EGI Federation, EUDAT CDI, INDIGO-DataCloud and other major European research infrastructures to deliver a common catalogue of research data, services and software for research. 
EOSC-hub collaborates closely with GÉANT and the EOSCpilot and OpenAIRE-Advance projects to deliver a consistent service offer for research communities across Europe.
EOSC-hub is funded by the European Union’s Horizon 2020 research and innovation programme under grant agreement 777536. The generous EU funding received by the project is complemented with a contribution from the EGI Foundation and its participants, and in-kind contributions made available by service providers of the EGI Federation.

All the services are accessible @ https://www.eosc-hub.eu/catalogue

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

WeNMR suite for Structural Biology

A suite of computational tools for structural biology
The WeNMR suite of computational tools is composed of eight individual platforms:
  • DISVIS, to visualise and quantify the accessible interaction space in macromolecular complexes
  • POWERFIT, for rigid body fitting of atomic structures into cryo-EM density maps
  • HADDOCK, to model complexes of proteins and other biomolecules
  • GROMACS, to simulate the Newtonian equations of motion for systems with hundreds to millions of particles
  • AMPS-NMR, a web portal for Nuclear Magnetic Resonance (NMR) structures
  • CS-ROSETTA, to model the 3D structure of proteins
  • FANTEN, for multiple alignment of nucleic acid and protein sequences
  • SPOTON, to identify and classify interfacial residues as Hot-Spots (HS) in protein-protein complexes
  • 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

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