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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 this paper in the journal “Future Generation Computer Systems”. Highlights of this paper include: Hybrid dataflow and peer-to-peer computing to fully automated ensemble sampling. The platform automatically distributes workloads and manages them resiliently Problems are defined as workflow by reusing existing software […]

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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, […]

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