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Webinar: COMPSs: a high level framework for the development of parallel applications (2018-11-07)

BioExcel’s webinar series continue with a presentation by Dr. Daniele Lezzi, Barcelona Supercomputing Center. Register Abstract One of the biggest challenges in the programming of scientific application is the efficient exploitation of computing infrastructures. In the era of Big Data applications one of the pressing requirements on the researcher is to achieve a convergence between […]

Accelerating sampling in GROMACS with the AWH method

Overview Simulation of conformational transitions in bio-molecules is often problematic because transitions occur over timescales that are longer than what can be simulated. If one has a good reaction coordinate, transitions can be accelerated by up to several orders of magnitude by applying a biasing potential. In this webinar we will show how the Accelerated […]

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