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Webinar: Immersive visual exploration of biomolecular systems in virtual reality – from static views to interactive dynamics (2018-10-04)

BioExcel’s webinar series continue with a presentation by Marc Baaden, CNRS (Centre National de la Recherche Scientifique). Register Abstract For several years now, my team pursues the goal to study complex molecular assemblies through interactive visualization, manipulation and analysis approaches to aid hypothesis generation and exploration of complex datasets. The […]

Webinar: Open Force Field Initiative: The SMIRNOFF format and learned chemical perception (2018-10-10)

BioExcel’s webinar series continue with a presentation by Caitlin C. Bannan Mobley Group, UC Irvine – Chemistry Department Register Abstract The Open Force Field Initiative ( is developing a machinery to automatically parameterize molecular mechanics force fields. An important part of this process will be automating chemical perception — the […]

GROMACS 2018.3 is available

The official release of GROMACS 2018.3 is available! This release fixes several issues found since 2018.2. We encourage all users of the 2018 series to update to 2018.3. Please see the link to the release notes below for more details. You can find the code, documentation, release notes, and test […]