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Copernicus, a hybrid dataflow and peer-to-peer scientific computing platform for efficient largescale ensemble sampling

We are pleased to announce the publication of the paper Copernicus, a hybrid dataflow and peer-to-peer scientific computing platform for efficient largescale ensemble sampling in the journal Future Generation Computer System. Highlights of this paper include: Hybrid dataflow and peer-to-peer computing to fully automated ensemble sampling. The platform automatically distributes […]


Proton Dynamics in Protein Mass Spectrometry

BioExcel is pleased to announce the publication of this paper in The Journal of Physical Chemistry Letters. Abstract Native electrospray ionization/ion mobility-mass spectrometry (ESI/IM-MS) allows an accurate determination of low-resolution structural features of proteins. Yet, the presence of proton dynamics, observed already by us for DNA in the gas phase, […]