attecscfi

[BioExcel CoE @BioExcelCoE]

Day 2 of the Summer School is about molecular recognition and docking 🤝

@amjjbonvin introduces #HADDOCK to predict interactions between: proteins, nucleic acids, glycans and small molecules

For further flexibility and customisation check out HADDOCK3 ➡️https://t.co/vJs4qHhpVv

[BioExcel CoE @BioExcelCoE]

Read about the recent #compchem Spring School held @CSCfi and 🔑 access the training materials

➡️https://t.co/ecW5O7t9Co

✅ Classical #moleculardynamics
✅ Electronic structure theory
✅ #machinelearning in chemistry
✅ Enhanced sampling methods

#quantumchemistry #AI

[BioExcel CoE @BioExcelCoE]

Last day of this year's Computational Chemistry Spring School held @CSCfi

✅Classic #moleculardynamics
✅Electronic structure theory
✅#AI in chemistry
✅Hands-on tutorials running on supercomputer GPUs
✅Poster session & networking

🌍24 participants / 8 countries

#compchem

[BioExcel CoE @BioExcelCoE]

If you are a researcher using or planning to use biomolecular modeling and simulation the BioExcel Summer School will be an invaluable experience

Register for the event taking place 8-13 June ➡️ https://t.co/zvtiPwKGMp

+ check out this video 📽️
https://t.co/yRdONkwIxM

[BioExcel CoE @BioExcelCoE]

We are now also on Bluesky even though we will continue maintaining our presence here and on our other channels. Join us!

[University of Helsinki @helsinkiuni]

Tietokoneiden laskentateho on kasvanut huimasti viime vuosikymmeninä. Se mullistaa tieteentekoa monella alalla.
@yliopistolehti
https://t.co/8eKVMhqeoN

[attecscfi @attecscfi]

If today it's cold, dark and wet, fast forward 6 months and imagine what it would be in Sardegna, in June, among like minded #biomolecular #simulations researchers and code developers. Read more and apply below!

[BioExcel CoE @BioExcelCoE]

📣 The BioExcel Summer School on Biomolecular Simulations 2025 is now open for applications

Our flagship #training event will take place 8-13 June 2025 in Sardinia, Italy 🌞⛱️

For more information and how to apply ➡️https://t.co/mcC8JnbVYU

[attecscfi @attecscfi]

Another cool (pun intended) application of HPC!

[In the Field @REfieldstories]

A #research collaboration across the European Nordic countries, including the #NREN of #Finland 🇫🇮 @CSCfi has developed a sea ice modelling tool that helps the shipping industry estimate risks as the #Arctic shipping season is extended.

https://t.co/WbETD7iuVh #PolarResearch

[attecscfi @attecscfi]

@amjjbonvin @RommieAmaro Brilliant finale for the excellent conference. Rommie's presentation on the "Computational Microscope" in an observatory. Grand scale! 🤩

[attecscfi @attecscfi]

Indeed! As they say, it's not only faster computers, but increasingly clever methods. And I don't mean just AI, which we've seen used in many tools here, but in particular the human effort in these developments.

[CSC @CSCfi]

Impressive talks and advances in methods in the 2nd @BioExcelCoE Conference on Advances in Biomolecular Simulations in Brno!

We're looking forward for these being applied on our supercomputers 🚀

#BiomolecularResearch

[LUMI supercomputer @LUMIhpc]

❄️Sign up now for the LUMI User Day in Belgium on November 7! 🇧🇪 More information: https://t.co/z4mrsxmzmU

#lumisupercomputer #lumieurohpc #eurohpc #hpc #ai

@VSC_HPC

[BioExcel CoE @BioExcelCoE]

Our Ambassador Program workshop on @BioExcelCoE software for intermediate and advanced users is open for registration

🗓️26-28 November 2024
📍Coimbra, Portugal and online

More info➡️https://t.co/mmUqHcctLV

@Eurocc_Portugal @EuroCC_France @EuroCC_SpainRES @EuroccIreland

[attecscfi @attecscfi]

Hi from #ECCB2024! 👋 @BioExcelCoE helps you harness the power of biomolecular simulations. Come chat with us at poster 103 or visit us at the @CSCfi stand to learn more! 💡 Don’t miss out, explore our resources here: https://t.co/IprZMXPiwK

[BioExcel CoE @BioExcelCoE]

Dont miss your chance to influence what we do and how we do it!

Fill in our annual survey 📋 and help us provide better software, support and services

➡️https://t.co/WTTjCf4Cin

[BioExcel CoE @BioExcelCoE]

📢Our first webinar after the summer break features Sudakshina Ganguly from @PDBEurope who will talk about available resources to help with starting model selection for #moleculardynamics simulations

🗓️10 September 2024 at 15:00 CEST
➡️registration: https://t.co/G4DkPrKdrz

[BioExcel CoE @BioExcelCoE]

Day 3 of our Summer School on Biomolecular Simulations 2024 🌞⛱️ was all about Enhanced Sampling and its applications

@eriklindahl challenged us to think about what scientific questions we are trying to answer when setting up #moleculardynamics simulations

[BioExcel CoE @BioExcelCoE]

Last day of our summerschool - last coffee break in the beautiful Pula setting. And one more lecture (and not least one) about QM/MM with Emiliano Ippoliti

[Alexandre Bonvin - also on Bluesky @amjjbonvin]

First @BioExcelCoE summerschool tutorial session running #Gromacs from a #jupyter notebook - good thing @SardegnaRs hosting us has nice cooling to compensate for the smoking laptops!

[attecscfi @attecscfi]

We applied a coffee break announcement on a sample of 30 @BioExcelCoE summer school participants + 12 lecturers, but the DG binding energy with the posters was higher. Maybe due to good alignment with interests and favourable complex formation?

[BioExcel CoE @BioExcelCoE]

We are ready to kick off day 1 of the Summer School on Biomolecular Simulations 2024 🌞⛱️

Participants and lecturers arrived yesterday and got to know each other over dinner

Everyone looking forward to what promises to be an excellent week of science 🧪and community building 🤝