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Found 3 papers, 1 papers with code
Onedata4Sci: Life science data management solution based on Onedata
The solutions mainly fall into one of the two groups: general data management systems (e. g. Onedata, iRODS, B2SHARE, CERNBox) or very specialised data management solutions (e. g. solutions for biomolecular simulation data, biological imaging data, genomic data).
De-novo Identification of Small Molecules from Their GC-EI-MS Spectra
Identification of experimentally acquired mass spectra of unknown compounds presents a~particular challenge because reliable spectral databases do not cover the potential chemical space with sufficient density.
Collective Variable for Metadynamics Derived from AlphaFold Output
Here we show how this score can be used to drive protein folding simulation by metadynamics and parallel tempering metadynamics.
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