BioExcel CoE
@bioexcelcoe.bsky.social
📤 375
📥 135
📝 110
Centre of Excellence for Computational Biomolecular Research
pinned post!
⭐️ Registration and Abstract submission is open for the "3rd BioExcel Conference on Advances in Biomolecular Simulations" 🗓️ 27 - 30 September 2026 📍 Brno, Czechia ℹ️ More info:
bioexcel.eu/hzr0
#molecularsimulation
#moleculardynamics
#AI
#compchem
#drugdesign
#molecule
#computing
#conference
3 months ago
0
6
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Join our
#webinar
tomorrow "Multiscale simulation of biomembranes: shape, structure and cellular function" 🗓️ 14 April 2026, 15:00 CET ✍️
bioexcel.eu/y50u
#ComputerSimulation
#moleculardynamics
@weria-lab.bsky.social
5 days ago
0
3
2
Our
#webinar
on multiscale simulation of
#biomembranes
is next week Don't forget to register! 🗓️ 14 April 2026, 15:00 CET ✍️
bioexcel.eu/y50u
#ComputerSimulation
#moleculardynamics
9 days ago
0
2
1
🎗️ reminder that our
#webinar
on characterising dynamic
#protein
interfaces with the DynaPIN
#software
will take place next week; 🗓️ 31 March 2026, 15:00 CET ✍️
bioexcel.eu/lgmq
@ezgikaraca.bsky.social
#webinar
#ComputerSimulation
#protein
#molecularmodeling
22 days ago
0
2
4
Interested in
#integrativemodeling
of
#biomembranes
? Join us to hear Weria Pezeshkian talk about his recent work enabling the modelling of biological membranes across scales 🗓️ 14 April 2026, 15:00 CET ✍️
bioexcel.eu/y50u
@weria-lab.bsky.social
#ComputerSimulation
#moleculardynamics
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Webinar: Multiscale simulation of biomembranes: shape, structure and cellular function (2026-04-14)
Date: 14 April 2026 Time: 15:00 CET Registration Abstract Biological membranes exhibit intricate, large-scale dynamical architectures that are intimately coupled to cellular function, and abnormal me...
https://bioexcel.eu/y50u
23 days ago
0
3
0
Our
#webinar
on the AQUA-DUCT solvent-tracking software is tomorrow! 🗓️ 24 March 2026, 15:00 CET ✍️
bioexcel.eu/igfo
Join us!
#ComputerSimulation
#biomolecules
#structure
#compchem
#drugdiscovery
25 days ago
0
3
3
reposted by
BioExcel CoE
Alexandre Bonvin
about 1 month ago
While in Taipei at Academia Sinica for the
#ISGC2026
symposium on grid and cloud computing, and giving a
@bioexcelcoe.bsky.social
#GANANA
#HADDOCK
workshop our HADDOCK portal passed the cap of 80000 registered users! Live stats at
wenmr.science.uu.nl
0
5
3
Join us in a couple of weeks to hear
@ezgikaraca.bsky.social
talk about "DynaPIN: a tool for characterising dynamic protein interfaces" 🗓️ 31 March 2026, 15:00 CET ✍️
bioexcel.eu/lgmq
#webinar
#ComputerSimulation
#protein
#molecularmodeling
about 1 month ago
0
6
1
Don't forget to register! Our
#webinar
"Peeking into the black box of GROMACS performance" is happening tomorrow 🗓️ 17 March 2026, 15:00 CET ✍️
bioexcel.eu/oryy
#webinar
#moleculardynamics
@gromacs.bsky.social
about 1 month ago
0
1
3
🌊 The AQUA-DUCT software facilitates the study of solvent and cavity behaviour within
#biomolecules
, critical to understanding their structure and funcion. Join our
#webinar
on 24 March 2026 at 15:00 CET to hear more about this; ✍️
bioexcel.eu/igfo
#ComputerSimulation
about 1 month ago
0
1
0
Following our "What's new in GROMACS 2026" webinar today we have another webinar in 2 weeks where we will focus on
#GROMACS
performance 🗓️ 17 March 2026, 15:00 CET ✍️
bioexcel.eu/oryy
#webinar
#moleculardynamics
@gromacs.bsky.social
about 2 months ago
0
2
1
Hurry! 🏃♀️🏃♂️ Last chance to register for our webinar tomorrow: "What's new in GROMACS 2026.0" 🗓️ 3 March 2026, 15:00 CET ✍️
bioexcel.eu/cpok
#webinar
#moleculardynamics
#GROMACS
@gromacs.bsky.social
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Webinar: What’s new in GROMACS 2026.0 (2026-03-03)
Date: 3 March 2026 Time: 15:00 CET Registration Abstract This webinar gives an overview of the new features and performance improvements that are included in the recently released 2026.0 version of G...
https://bioexcel.eu/cpok
about 2 months ago
0
2
3
If you are a
#GROMACS
user and/or interested in
#moleculardynamics
simulations join us next week for our "What's new in GROMACS 2026.0"
#webinar
🗓️ 3 March 2026, 15:00 CET ✍️
bioexcel.eu/cpok
@gromacs.bsky.social
about 2 months ago
0
5
3
GROMACS 2026 is out! If you want to hear about the new features and performance improvements join our
#webinar
: 🗓️ 3 March 2026, 15:00 CET ✍️
bioexcel.eu/cpok
#moleculardynamics
#GROMACS
@GMX_TWEET
about 2 months ago
0
2
3
⏰ Don't forget to register for our
#webinar
tomorrow, 17 February 2026, 15:00 CET ✍️
bioexcel.eu/7c2s
"From quick script to reproducible workflow"
#molecularsimulations
#workflows
#FAIR
#SoftwareEngineering
@coderefinery.org
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Webinar: From Quick Script to Reproducible Workflow: Small Research Software Engineering Habits, Big Impact (2026-02-17)
Date: 17 February 2026 Time: 15:00 CET Registration Abstract Reproducible analysis pipelines sound great in theory, but what does that look like in the life of a busy researcher doing biomolecular sy...
https://bioexcel.eu/7c2s
2 months ago
0
4
4
"From quick script to reproducible workflow" Learn to create and maintain reproducible workflows for biomolecular simulations 🗓️ 17 February 2026, 15:00 CET ✍️
bioexcel.eu/7c2s
#webinar
#molecularsimulations
#workflows
#FAIR
#SoftwareEngineering
@coderefinery.org
2 months ago
0
2
0
Happening tomorrow, 10-Feb at 15:00 CET! Last chance to register for our
#webinar
on Mastering the Accelerated Weight Histogram method ✍️
bioexcel.eu/5t76
#moleculardynamics
2 months ago
0
2
2
Learn how to get the most out of your
#moleculardynamics
simulations with
#GROMACS
Register for our
#webinar
🗓️ 17 March 2026, 15:00 CET ✍️
bioexcel.eu/oryy
#compchem
2 months ago
0
5
2
Find out what new features and improvements come with the new release of
#GROMACS
2026 🗓️ 3 March 2026, 15:00 CET ✍️
bioexcel.eu/cpok
#webinar
#moleculardynamics
#compchem
2 months ago
0
4
2
🎗️ reminder that our
#webinar
on "Mastering the Accelerated Weight Histogram method" will take place next week; 🗓️ 10 February 2026, 15:00 CET ✍️
bioexcel.eu/5t76
#moleculardynamics
2 months ago
0
3
2
Interested in best practices for creating and maintaining reproducible workflows for biomolecular simulations? Join us for our
#webinar
🗓️ 17 February 2026, 15:00 CET ✍️
bioexcel.eu/7c2s
#molecularsimulations
#workflows
#FAIR
#SoftwareEngineering
@coderefinery.org
3 months ago
0
11
6
reposted by
BioExcel CoE
CompBioPhys
3 months 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
add a skeleton here at some point
0
3
2
The deadline for applications to our Summer School on Biomolecular Simulations 2026 is fast approaching ❗️ 🧑🎓Learn from the code developers, build your network and present your work Submit your application by this Sunday 1st February ➡️
bioexcel.eu/4ooy
#training
3 months ago
0
3
3
reposted by
BioExcel CoE
CSCfi
3 months ago
Shaping the future of biomolecular simulations in 2026! 🔬🚀 BioExcel’s Spring School, Summer School & Conference are now open for registration.
@bioexcelcoe.bsky.social
👉
bioexcel.eu/training-and...
Watch last year’s Summer School video below 📽️
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Bioexcel Summer School 2026
YouTube video by BioExcel CoE
https://youtu.be/RDBu7DBJEyI
0
4
3
Its not too late to register for our
#webinar
tomorrow 27-Jan, 15:00 CET ➡️
bioexcel.eu/bcjz
"VTX: From Real-Time high performance molecular structure and dynamics visualization to integrative modeling of massive molecular systems"
#moleculardynamics
@matthieumontes.bsky.social
3 months ago
0
7
3
⏱️Don't delay❗️ 🗓️1st February is the deadline for applications to our Summer School 2026 Note the requisites, e.g. support letter, before you can submit your application ➡️
bioexcel.eu/4ooy
#training
#molecularsimulations
#molecularmodeling
#compchem
#community
3 months ago
0
2
0
❗ Our
#webinar
on "Mastering the Accelerated Weight Histogram method" due to take place tomorrow (20-Jan) has been rescheduled 🗓️ 10 February 2026, 15:00 CET ✍️
bioexcel.eu/5t76
#moleculardynamics
3 months ago
0
3
1
⭐️ Registration and Abstract submission is open for the "3rd BioExcel Conference on Advances in Biomolecular Simulations" 🗓️ 27 - 30 September 2026 📍 Brno, Czechia ℹ️ More info:
bioexcel.eu/hzr0
#molecularsimulation
#moleculardynamics
#AI
#compchem
#drugdesign
#molecule
#computing
#conference
3 months ago
0
6
8
If you are an early-stage career scientist 🧑🔬 using biomolecular simulations the BioExcel Summer School is for you! Running since 2018 it always receives outstanding reviews Apply here ➡️
bioexcel.eu/4ooy
Deadline for applications: 1st February!
#training
#molecularsimulations
#community
3 months ago
0
5
7
Join us for our
#webinar
where
@matthieumontes.bsky.social
will introduce the high-performance molecular-visualization and simulation platform VTX for rapid exploration of massive molecular systems 🗓️ 27 January 2026, 15:00 CET ✍️
bioexcel.eu/bcjz
#moleculardynamics
#molecularmodeling
#visualization
3 months ago
0
3
2
Join us next week for our
#webinar
on "Mastering the Accelerated Weight Histogram method" 🗓️ 20 January 2026, 15:00 CET ✍️
bioexcel.eu/5t76
We'll present 2 new tutorials covering AWH implementation in
#GROMACS
Suitable for novice and advanced users
#moleculardynamics
#enhancedsampling
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Webinar: Mastering the Accelerated Weight Histogram Method: from Principles to Practice (2026-01-20)
Date: 20 January 2026 Time: 15:00 CET Registration Abstract The Accelerated Weight Histogram method (AWH) is an enhanced sampling technique for molecular dynamics simulations, capable of speeding up ...
https://bioexcel.eu/5t76
3 months ago
0
5
2
📢 Registration for the 2026 Computational Chemistry Spring School is open! Theory, hands-on exercises on supercomputer GPUs, poster session and networking 🗓️ 8-10 April 2026 🌍 Espoo, Finland ℹ️
bioexcel.eu/qrhx
#compchem
#moleculardynamics
#quantumchemistry
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Spring School in Computational Chemistry 2026
Registration for the Spring School in Computational Chemistry 2026 is open Date: 8 – 10 April 2026 Venue: CSC - IT Center for Science, Espoo, Finland Registration fee: EUR 225.90 (VAT included) Regis...
https://bioexcel.eu/qrhx
3 months ago
0
4
4
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 / 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 ...
https://bioexcel.eu/3c00
4 months ago
0
1
1
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 🎦bioexcel.eu/4m5m
#moleculardynamics
4 months ago
0
4
2
Our next
#webinar
is all about making movies in Molywood 📽️🎞️ Join us on 16 December 2025, 15:00 CET to learn more! Registration ➡️
bioexcel.eu/zdsm
5 months ago
0
5
0
🔜 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
5 months ago
0
2
2
☝️ 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
5 months ago
0
3
3
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
5 months ago
0
3
0
If you are interested in making molecular movies join us for our
#webinar
🗓️ 16 December 2025, 15:00 CET ✍️
bioexcel.eu/zdsm
5 months ago
0
5
4
🥁 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 🌞⛱️ More information and how to apply ➡️bioexcel.eu/4ooy
#training
#molecularsimulations
#community
5 months ago
0
3
3
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 🗓️ 2 December 2025, 15:00 CET ✍️
bioexcel.eu/4m5m
#moleculardynamics
#freeenergy
#enhancedsampling
5 months ago
0
6
4
Save the dates! The 3rd BioExcel Conference on Advances in Biomolecular Simulations is happening: 🗓️ 27-30 September 2026 🌐 Brno, Czech Republic ℹ️
bioexcel.eu/hzr0
Registration opens: 19 January 2026
#moleculardynamics
#freeenergy
#drugdesign
#ai
#conference
5 months ago
0
4
2
📢 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 / 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 ...
https://bioexcel.eu/3c00
5 months ago
0
2
3
🔥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 ➡️
bit.ly/43aLrA9
@compbiophys.bsky.social
#molecular
#simulation
#drugdiscovery
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Evaluation of the ABCG2 Charge Model in Protein–Ligand Binding Free-Energy Calculations
Accurate binding free energy prediction is vital for drug design, motivating the assessment of new force field models. Here, we evaluate the ABCG2 charge model with nonequilibrium alchemical free-ener...
https://bit.ly/43aLrA9
5 months ago
0
2
2
reposted by
BioExcel CoE
Alexandre Bonvin
6 months ago
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.
0
2
1
Last chance to provide your feedback! Our BioExcel 2025 survey is closing tomorrow, 31st October 🎃 Please fill in the survey ➡️bit.ly/3Vi7HE1
6 months ago
0
0
0
Our BioExcel 2025 survey is closing at the end of October ➡️bit.ly/3Vi7HE1 Please take this opportunity to provide us with your feedback!
6 months ago
0
0
1
Last chance to register ❗️ Our special edition webinar featuring talks on
#topoisomerase
inhibition, transmembrane
#signalling
and
#membrane
multilamellarity is this afternoon at 15:00 CEST Register here ➡️bioexcel.eu/ion8
7 months ago
0
1
1
Happening next week! Our 23-September, special edition webinar will feature talks on topoisomerase inhibition, transmembrane signalling and membrane multilamellarity Register here ➡️bioexcel.eu/ion8
7 months ago
0
2
2
5️⃣ 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 ➡️
bioexcel.eu/1c1j
#DrugDiscovery
#Workflows
#CADD
#VirtualScreening
7 months ago
0
5
1
4️⃣ 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 ➡️
bioexcel.eu/uw67
#MolecularDynamics
#GROMACS
#ComputationalBiology
7 months ago
1
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