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X-WR-CALNAME:National Centre for High-performance and Distributed Computing
X-ORIGINAL-URL:https://nchdc.acad.bg/en/
X-WR-CALDESC:Events for National Centre for High-performance and Distributed Computing
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DTSTART:20210328T010000
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DTSTART;VALUE=DATE:20210920
DTEND;VALUE=DATE:20210925
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SUMMARY:PRACE AUTUMN SCHOOL 2021 (online): Fundamentals of biomolecular simulations and virtual drug development\, September 20-24\, 2021
DESCRIPTION:The HPC Autumn School 2021: „Fundamentals of Biomolecular Modelling and Simulations for Applied Research and Virtual Drug Development” is organised by BioExcel Centre of Excellence\, STFC Daresbury Laboratory\, NCSA Bulgaria\, and Sofia University and in partnership with AstraZeneca and NostrumBiodiscovery. \nThe week-long training event will provide an introduction to the fundamentals of modern methods for biomolecular simulations – molecular dynamics (MD)\, 3D QSAR\, integrative modelling\, free energy and hybrid-QM/MM calculations. Widely used software applications (GROMACS\, HADDOCK\, PMX\, ChemShell) will be presented\, and their usage on HPC facilities demonstrated. \nThe school program targets applied scientists\, who have little experience with computational methodologies and High-Performance Computing (HPC). It will be suitable for junior researchers (post-graduates and post-docs) with a background in natural sciences and\, in particular\, pharmacy\, biochemistry and biophysics. Participants from Central and Eastern Europe are especially welcome. \nMore information: here. \n
URL:https://nchdc.acad.bg/en/event/prace-autumn-school-2021-online-fundamentals-of-biomolecular-simulations-and-virtual-drug-development-september-20-24-2021/
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