#BioBB

@compbiophys.bsky.social

1 month ago

😲 #Deadline is approaching... Don't miss your chance to join the @bioexcelcoe.bsky.social #summer #school on #biomolecular #simulations in #sardinia 🇮🇹 @gromacs.bsky.social #pmx #hadddock #biobb

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BioExcel CoE

@bioexcelcoe.bsky.social

3 months ago

BioExcel / EuroCC workshop in Slovenia Registration for this event is open Our fourth Ambassador Program workshop is jointly organised and supported by our colleagues at the National Competence Centres in Slovenia, Croatia and Italy. The ...

Don't miss out!

The registration deadline for our Ambassador Program workshop in Slovenia has been extended until 20 December

➡️ bioexcel.eu/3c00

Lectures and hands-on tutorials covering #BioBB #HADDOCK and #PMX

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BioExcel CoE

@bioexcelcoe.bsky.social

3 months ago

Our hands-on #training event for #PhD students and #postdocs wanting to learn #BioBB #HADDOCK and #PMX is taking place:

🗓️ 11-12 February 2026
🌍 Ljubljana, Slovenia

➡️ bioexcel.eu/3c00 (registration closes 10 December)

@eurocc.bsky.social
NCC Slovenia NCC Italy NCC Croatia

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BioExcel CoE

@bioexcelcoe.bsky.social

4 months ago

BioExcel / EuroCC workshop in Slovenia Registration for this event is open Our fourth Ambassador Program workshop is jointly organised and supported by our colleagues at the National Competence Centres in Slovenia, Croatia and Italy. The ...

📢 Our Ambassador Program Adriatic Edition workshop is open for registration ➡️ bioexcel.eu/3c00

Lectures and hands-on tutorials covering #BioBB #HADDOCK and #PMX

🗓️ 11-12 February 2026
🌍 Ljubljana, Slovenia

In collaboration with @euroccslovakia.bsky.social EuroCC Italy EuroCC Croatia

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BioExcel CoE

@bioexcelcoe.bsky.social

9 months ago

Webinar: Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows (2024-05-28) View slides on Zenodo Abstract Interactive Jupyter Notebooks in combination with Conda environments can be used to generate FAIR (Findable, Accessible, Interoperable and Reusable/Reproducible) biomole...

As more scientific journals are starting to require reproducibility before publication #BioBB can become invaluable

Check out our #webinar on BioBB and #FAIR workflows ➡️ bit.ly/3xXBcCm

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BioExcel CoE

@bioexcelcoe.bsky.social

9 months ago

The tutorial uses #GROMACS as the simulation engine. Find this and other #workflow examples here ➡ bit.ly/3xzZJ0q

#BioBB enables automated system preparation, simulation and analysis, making your workflows and environment reproducible and #FAIR

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BioExcel CoE

@bioexcelcoe.bsky.social

9 months ago

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 #moleculardynamics in Jupyter notebooks using BioBB

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pen(Taka)

@iwatobipen.bsky.social

1 year ago

Run GROMACS from python #MD #BioBB #memo Happy new year! I hope readers have great end-year holiday. And this is the first post of 2025 of my blog site. My background is medicinal and organic chemistry and cheminformatics. And I'm not so familier with MD(Molecular Dynamics). But recenlty I'm interested in not only informatics but also MD. Recently I found an interesting project named 'BioBB'. From original site, '

Run GROMACS from python #MD #BioBB #memo

Happy new year! I hope readers have great end-year holiday. And this is the first post of 2025 of my blog site. My background is medicinal and organic chemistry and cheminformatics. And I'm not so familier with MD(Molecular Dynamics). But recenlty I'm…

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Alexandre Bonvin

@amjjbonvin.bsky.social

2 years ago

BioExcelCoE on tour at the EU-ASEAN HPC school in Indonesia. We will demonstrate in computer practicals our #BioBB and #HADDOCK software on the Japanese #Fugaku supercomputer - hpcschool.net

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Posts tagged #BioBB