@bioexcelcoe.bsky.social
Centre of Excellence for Computational Biomolecular Research
Don't miss out!
The registration deadline for our Ambassador Program workshop in Slovenia has been extended until 20 December
β‘οΈ bioexcel.eu/3c00
Lectures and hands-on tutorials covering #BioBB #HADDOCK and #PMX
The recording of our #webinar on the #GROMACS tutorial suite is now available and you can ask any questions related to this via the forum until the 20 December
π¦bioexcel.eu/4m5m
#moleculardynamics
Our next #webinar is all about making movies in Molywood π½οΈποΈ
Join us on 16 December 2025, 15:00 CET to learn more!
Registration β‘οΈ bioexcel.eu/zdsm
π Join us tomorrow at 15:00 CET (UTC+1) to hear about "The GROMACS tutorial suite: from basic to advanced applications"
Registration is still open: bioexcel.eu/4m5m
#webinar #moleculardynamics #GROMACS
βοΈ Don't forget to register for our #webinar on 2 December at 15:00 CET
Alessandra Villa will take you through "The GROMACS tutorial suite: from basic to advanced applications"
Register here: bioexcel.eu/4m5m
#moleculardynamics
Our hands-on #training event for #PhD students and #postdocs wanting to learn #BioBB #HADDOCK and #PMX is taking place:
ποΈ 11-12 February 2026
π Ljubljana, Slovenia
β‘οΈ bioexcel.eu/3c00 (registration closes 10 December)
@eurocc.bsky.social
NCC Slovenia NCC Italy NCC Croatia
If you are interested in making molecular movies join us for our #webinar
ποΈ 16 December 2025, 15:00 CET
βοΈ bioexcel.eu/zdsm
π₯ We have opened the registration for our Summer School on Biomolecular Simulations 2026!
Our flagship training event will take place 7-12 June 2026 in Sardinia, Italy πβ±οΈ
More information and how to apply β‘οΈbioexcel.eu/4ooy
#training #molecularsimulations #community
Join us for our next #webinar where we will provide an overview of the #GROMACS Tutorials Suite
We will cover different methods and installation of all the necessary software requirements
ποΈ 2 December 2025, 15:00 CET
βοΈ bioexcel.eu/4m5m
#moleculardynamics #freeenergy #enhancedsampling
Save the dates!
The 3rd BioExcel Conference on Advances in Biomolecular Simulations is happening:
ποΈ 27-30 September 2026
π Brno, Czech Republic
βΉοΈ bioexcel.eu/hzr0
Registration opens: 19 January 2026
#moleculardynamics #freeenergy #drugdesign #ai #conference
π’ Our Ambassador Program Adriatic Edition workshop is open for registration β‘οΈ bioexcel.eu/3c00
Lectures and hands-on tutorials covering #BioBB #HADDOCK and #PMX
ποΈ 11-12 February 2026
π Ljubljana, Slovenia
In collaboration with @euroccslovakia.bsky.social EuroCC Italy EuroCC Croatia
π₯Hot off the press!
Assessing the performance of the GAFF2/ABCG2 parametrization in protein-ligand relative binding free-energy simulations using non-equilibrium alchemy.
Read to learn more β‘οΈ bit.ly/43aLrA9
@compbiophys.bsky.social
#molecular #simulation #drugdiscovery
INTERNATIONAL SYMPOSIUM ON GRIDS & CLOUDS (ISG) 2026
15-20 March 2026, Academia Sinica, Taipei, Taiwan
CALL FOR ABSTRACT
There will also be a #HADDOCK @bioexcelcoe.bsky.social workshop in the context of the EU-INDIA GANANA project.
Last chance to provide your feedback!
Our BioExcel 2025 survey is closing tomorrow, 31st October π
Please fill in the survey β‘οΈbit.ly/3Vi7HE1
Our BioExcel 2025 survey is closing at the end of October β‘οΈbit.ly/3Vi7HE1
Please take this opportunity to provide us with your feedback!
Last chance to register βοΈ
Our special edition webinar featuring talks on #topoisomerase inhibition, transmembrane #signalling and #membrane multilamellarity is this afternoon at 15:00 CEST
Register here β‘οΈbioexcel.eu/ion8
Happening next week!
Our 23-September, special edition webinar will feature talks on topoisomerase inhibition, transmembrane signalling and membrane multilamellarity
Register here β‘οΈbioexcel.eu/ion8
5οΈβ£ Featuring the fifth of our showcase projects
Our automated pipeline, built on BioBBs, uses #AlphaFold, MD simulations, and virtual screening to output a list of ligand poses β‘οΈ bioexcel.eu/1c1j
#DrugDiscovery #Workflows #CADD #VirtualScreening
4οΈβ£ Featuring the fourth of our showcase projects
Upgrading GROMACS to handle billion-atom systems and enhancing I/O performance and precision, making the first-ever whole-cell simulation possible β‘οΈ bioexcel.eu/uw67
#MolecularDynamics #GROMACS #ComputationalBiology
3οΈβ£ Featuring the third of our showcase projects
We are tackling the tough-to-predict H3 antibody/nanobody loop using AlphaFlow and hierarchical clustering to create more accurate models β‘οΈbioexcel.eu/56jw
#Antibodies #AlphaFlow #DrugDiscovery
2β£ Featuring the second of our showcase projects
Through a combination of AlphaFold2 and other tools we are bypassing the limits of traditional MD simulations β‘οΈ bioexcel.eu/dvy3
#Proteins #MolecularDynamics #GROMACS #AlphaFold2
π Don't forget to register for our special edition webinar on 23 September where we will have 3 interesting talks by our BioExcel Summer School 2025 poster prize winners:
Find out more and register here β‘οΈ bioexcel.eu/ion8
1οΈβ£ Featuring the first of our showcase projects
We use an autoencoder to capture and quantify dynamic differences between protein conformational states β‘οΈ bioexcel.eu/wv4a
#MolecularDynamics #MachineLearning
From support and training to which features we should develop in our core software, your views are valuable to us π
Our annual survey gives you the opportunity to provide us with all-round feedback
Please fill in the BioExcel 2025 survey β‘οΈbit.ly/3Vi7HE1
Zuzana JanΓ‘ΔkovΓ‘ is studying for her Ph.D. at the Institute of Organic Chemistry and Biochemistry in Prague, Czech Republic
She will talk about "Oligoarginine peptides bind preferentially to concave phospholipid membranes and induce membrane multilamellarity"
Gesa Freimann is studying for her Ph.D. at the Max Planck Institute for Biology in TΓΌbingen, Germany
She will talk about "Molecular Dynamics Simulations of Af1503 β A Model Protein for Transmembrane Signaling"
@gfreimann.bsky.social
Jan van Elteren is studying for his Ph.D. at the National Institute of Chemistry and the Faculty of Pharmacy in Ljubljana, Slovenia
He will talk about "Investigating catalytic inhibition of full-length topoisomerase IIA through all-atom molecular simulations"
π’Our next webinar is a special edition featuring the BioExcel Summer School 2025 poster prize winners
ποΈ Join us on 23 September at 15:00 CET
βοΈ Registration and further information β‘οΈbioexcel.eu/ion8
Find out more about our speakers and their research...
π€ Our collaboration with other leading EU #HPC Centres of Excellence has resulted a white paper providing guidance and best practices for CoEs aiming to build their #innovation and #commercialisation capabilities
Read more: bioexcel.eu/k7b9
DOI: dx.doi.org/10.13140/RG....
π’Vacancy: BSC is looking for a Junior Research Engineer Biomolecular Simulations (MDDB/BioExcel)
β‘www.bsc.es/ZvN
#job #trabajo #feina @bioexcelcoe.bsky.social
