Main features

GPCRmd consists of a web platform and database enabling the following activities:

  • Deposition/storage of molecular dynamics (MD) data
  • Basic analysis of deposited MD trajectories, including e.g.
    • Progression of model quality and stability (e.g. RMSD analysis)
    • Statistics about ligand-receptor interaction (contact frequencies)
    • Dynamic interaction network using flareplots (powered by R. Fonseca and AJ Venkatakrishan)
    • Receptor dynamics (helix bending, rotation, micro switches)
  • Online visualization of molecular dynamics (visualization technology is powered by NGL viewer and MD server)

Additional features

  • Stable (citable) IDs provided for referencing in publications
  • Database browsing and search facilities for non-experts
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