[DISCUSSION] Could protein vibrations encode cellular information like molecular Morse code? What implications does this have for drug design? #ProteinDynamics #MolecularSimulations #Biophysics #ProteinDynamics #MolecularSimulations #Biophysics

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...

⏰ 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

"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

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

⏱️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

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

Accelerating Molecular Simulations with Triton: Fused GPU Kernels for TensorNet Neural Potentials Molecular dynamics (MD) simulations are essential for understanding molecular behavior in biology and chemistry, but remain computationally expensive at the scales required for drug discovery and m…

Accelerating Molecular Simulations with Triton: Fused GPU Kernels for TensorNet Neural Potentials

#Triton #CUDA #MolecularDynamics #MD #MolecularSimulations #PyTorch #Chemistry #Biology

hgpu.org?p=30453

🥁 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

"Curious about optimizing molecular simulations despite quantum noise hurdles? BFGS algorithm shines with unmatched accuracy and efficiency, potentially revolutionizing the field. How do you see the future of optimization? #QuantumComputing #MolecularSimulations #Innovation" LINK

Review the 📹 video recordings of the excellent past @bioexcelcoe.bsky.social webinars and see you in autumn 🍂 again! #molecularmodelling #molecularsimulations #research #compchem

Our webinar series will restart in September 2025 following a break during the summer months ☀️⛱️

📽️ You can access the recordings of all our previous webinars via our YouTube channel ▶️ bit.ly/3H8FZW7

#molecularmodeling #molecularsimulations #research #compchem

🚀 Are you working on Integrating biophysics, simulations, and AI?

Edited by our Field Chief @davidalsteens.bsky.social, this topic pushes the boundaries of science! 🔬🤖

Register to submit your research here: tinyurl.com/FCEBio

#Biophysics #AI #MolecularSimulations

🎄In just one week, Prof Ben Corry @corrylab.bsky.social will give a seminar on #sodiumchannel inactivation and inhibition when using #molecularsimulations 💻🧪

Join us on the 17th of December:
sodiumchannelseminars.org/Program-2024...

Diffusion Analyses along Mean and Gaussian-Curved Membranes with CurD Curved cellular membranes are both abundant and functionally relevant. While novel tomography approaches reveal the structural details of curved membranes, their dynamics pose an experimental challeng...

#research #molecularsimulations
Diffusion Analyses along Mean and Gaussian-Curved Membranes with CurD (Fábián, JavanainenM) - JPhysChem
Letters: pubs.acs.org/doi/10.1021/...
@iocbprague.bsky.social