FAIRMD BilayerData

FAIRMD BilayerData is an on-github database of quality-evaluated lipid bilayer structures operated by the FAIRMD Lipids Project. The database contains information about:

• experiments, namely form factor data from Small-Angle X-ray Scattering (SAXS) experiments and order parameter data from ¹H-¹³C dipolar splitting or from ²H quadrupolar splitting NMR experiments
• MD simulations, run by different engines using various force fields
• the molecules included in the experimental and simulation compositions, along with atom namings in different force fields and detailed metadata for each

The database doesn't store raw simulation or experiment data; it uses an overlay databank approach, i.e., stores only links to public archives like Zenodo, where complete MD trajectories must be stored. The database structure is described in detail in the FAIRMD Lipids documentation.

All the simulations from this database are mirrored at the NMRlipids webUI.

Contribution

Every contribution, whether of experiments or simulations, is welcome! If you would like to contribute simulations or experiments, please follow these instructions.

Contacts

Project is run by the NMRlipids Open Collaboration, please send your inquiries to databank@nmrlipids.fi.