BioExcel/EuroCC Workshop on Biomolecular Simulations: Aegean Edition
A three-day hybrid workshop on biomolecular modeling, simulation workflows, and integrative structural biology will be co-organized by BioExcel CoE, EuroCC@Greece, the Biomedical Research Foundation of the Academy of Athens (BRFAA), and Izmir Biomedicine and Genome Center of the Dokuz Eylul University from 18 to 20 November 2026. Registration closes on 25 September 2026.
The event pairs lectures with hands-on tutorials using Jupyter Notebooks and web portals across three methods: GROMACS, BioBB, and HADDOCK. This hybrid event (on-site at BRFAA and online) is suitable for graduate students, postdocs, and PIs. Workshop modules will cover topics:
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Introduction to MD & Trajectory Analysis (GROMACS) - classical force fields, boundary conditions, and numerical integration used to simulate macromolecular trajectories.
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Automated Biomolecular Workflows (BioBB) - module introduces the BioExcel Building Blocks (BioBB) Python library to build automated, reproducible simulation pipelines that follow FAIR data principles.
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Integrative Structural Biology: MD & HADDOCK & Cryo-EM - information-driven docking to model large macromolecular complexes by combining electron microscopy data with computational prediction in HADDOCK.