BioExcel CoE
@BioExcelCoE
Centre of Excellence supporting high-performance computing in biomolecular research. Funded by @EuroHPC_JU and member states ๐ธ๐ช ๐ณ๐ฑ ๐ฉ๐ช ๐ช๐ธ ๐ซ๐ฎ ๐ณ๐ด
Day 4 of the Summer School 2025 was about workflows and protein structure prediction Adam Hospital introduced BioExcel Building Blocks (#BioBB) and followed up with a hands-on #tutorial on how to perform protein-ligand complex Molecular Dynamics in Jupyter notebooks using BioBB
๐ Congratulations to the Summer School 2025 poster prize winners! ๐ Zuzana Janรกฤkovรก ๐ Jan van Elteren ๐ Gesa Laura Freimann Join us for a special edition webinar where they will present their work ๐๏ธ 23 September 2025, 15:00 CET
Today was the last day of our Summer School on Biomolecular Simulations 2025 โ ๐ Finishing off with an introduction to QM/MM by Emiliano Ippoliti and a 'careers session' for all participants Thank you to everyone for a great event ๐
If you are interested in collaborating with industry and applying your molecular simulation and computational chemistry skills to drug discovery ๐ ๐ check out these positions in the group of @zoecournia in Athens #jobs #compchem #drugdiscovery #pharma #molecularsimulation
Please RT! I have 2 postdoctoral positions in my lab @BRFAA_IIBEAA to work on MD sims for protein allostery, cryptic pocket identification, CADD/FEP. Knowledge in coarse-grained MD is a plus. More info: linkedin.com/hiring/jobs/42โฆ. Send me an email with your CV if interested!
First full day of the Summer School on Biomolecular Simulations 2025 in Sardinia ๐ ๐๏ธ It's mostly about #moleculardynamics and #GROMACS with lectures and hands-on tutorials Check out these useful MD tricks from Prof. Berk Hess๐
Registration for the Martini workshop, 11-15 August 2025 in Groningen, is now open! Learn from the cocktail masters themselves how to prepare your optimal Martini simulations, making use of the latest tools. Info and application: cgmartini.nl Deadline: 15 June
Martini workshop registration now open !!!! See cgmartini.nl for details and how to apply. Looking forward to seeing you in Groningen, Aug 11-15th.
Read about the recent #compchem Spring School held @CSCfi and ๐ access the training materials โก๏ธbioexcel.eu/rj58 โ Classical #moleculardynamics โ Electronic structure theory โ #machinelearning in chemistry โ Enhanced sampling methods #quantumchemistry #AI
Our webinar series will restart in September 2025 following a break during the summer months โ๏ธโฑ๏ธ ๐ฝ๏ธ You can access the recordings of all our previous webinars via our YouTube channel โถ๏ธ bit.ly/3H8FZW7 #molecularmodeling #molecularsimulations #research #compchem
Join us today 13th May at 15:00 CET for our last webinar before the summer break ๐ "MiMiC: A high-performance framework for multiscale molecular dynamics simulations" Registration โก๏ธ bioexcel.eu/l4rd #moleculardynamics #qmmm #compchem
A great opportunity to work with the GROMACS development team in Sweden on enhanced sampling in molecular dynamics๐๐ฅ๏ธ๐ธ๐ช โน๏ธ More information: bioexcel.eu/u583 ๐๏ธ Application deadline: 2 June 2025 @GMX_TWEET #jobs #moleculardynamics
