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Data sources: ZENODO
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FAIRMD BilayerData

Authors: larabort; comcon1; ohsOllila; korbinib; MagnusSletten; batukav; markussmiettinen; +17 Authors

FAIRMD BilayerData

Abstract

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.

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