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BioExcel CoE
@bioexcelcoe.bsky.social
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Centre of Excellence for Computational Biomolecular Research
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BioExcel CoE @bioexcelcoe.bsky.social · 2d
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
bioexcelcoe.bsky.social
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
January 14, 2026 at 8:54 AM
bioexcelcoe.bsky.social
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
January 13, 2026 at 12:30 PM
bioexcelcoe.bsky.social
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
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 ...
bioexcel.eu
January 12, 2026 at 10:14 AM
bioexcelcoe.bsky.social
📢 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
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...
bioexcel.eu
January 7, 2026 at 8:38 AM
bioexcelcoe.bsky.social
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
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 ...
bioexcel.eu
December 9, 2025 at 12:42 PM
bioexcelcoe.bsky.social
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
December 4, 2025 at 2:38 PM
bioexcelcoe.bsky.social
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
December 3, 2025 at 11:50 AM
bioexcelcoe.bsky.social
🔜 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
December 1, 2025 at 1:07 PM
bioexcelcoe.bsky.social
☝️ 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
November 27, 2025 at 1:09 PM
bioexcelcoe.bsky.social
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
November 25, 2025 at 8:38 AM
bioexcelcoe.bsky.social
If you are interested in making molecular movies join us for our #webinar

🗓️ 16 December 2025, 15:00 CET
✍️ bioexcel.eu/zdsm
November 21, 2025 at 3:58 PM
bioexcelcoe.bsky.social
🥁 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
November 14, 2025 at 10:09 AM
bioexcelcoe.bsky.social
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
November 12, 2025 at 12:35 PM
bioexcelcoe.bsky.social
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
November 10, 2025 at 3:21 PM
bioexcelcoe.bsky.social
📢 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
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 ...
bioexcel.eu
November 6, 2025 at 8:55 AM
bioexcelcoe.bsky.social
🔥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
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...
bit.ly
November 4, 2025 at 8:41 AM
Reposted by BioExcel CoE
amjjbonvin.bsky.social
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.
October 9, 2025 at 9:37 AM
bioexcelcoe.bsky.social
Last chance to provide your feedback!

Our BioExcel 2025 survey is closing tomorrow, 31st October 🎃

Please fill in the survey ➡️bit.ly/3Vi7HE1
October 30, 2025 at 9:30 AM
bioexcelcoe.bsky.social
Our BioExcel 2025 survey is closing at the end of October ➡️bit.ly/3Vi7HE1

Please take this opportunity to provide us with your feedback!
October 16, 2025 at 1:32 PM
bioexcelcoe.bsky.social
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
September 23, 2025 at 8:00 AM
bioexcelcoe.bsky.social
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
September 17, 2025 at 11:53 AM
bioexcelcoe.bsky.social
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
September 12, 2025 at 3:17 PM
bioexcelcoe.bsky.social
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
September 12, 2025 at 6:22 AM
bioexcelcoe.bsky.social
3️⃣ 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 ➡️bioexcel.eu/56jw

#Antibodies #AlphaFlow #DrugDiscovery
September 11, 2025 at 1:18 PM
bioexcelcoe.bsky.social
2⃣ Featuring the second of our showcase projects

Through a combination of AlphaFold2 and other tools we are bypassing the limits of traditional MD simulations ➡️ bioexcel.eu/dvy3

#Proteins #MolecularDynamics #GROMACS #AlphaFold2
September 9, 2025 at 8:04 PM