Lightnews — Scholar-powered news

Marc Baaden @baam93.bsky.social · 1d

A “failed” control didn’t break our study—it rewrote the hypothesis and led to sharper insights 🔬✨ #molecularscience #research Read more → Idées Moléculaires ↗. What do you think?
idees.moleculair.es/how-a-contro...

How a Control Rewrote Our Hypothesis | Idées Moléculaires

idees.moleculair.es

Marc Baaden @baam93.bsky.social · 2d

NanoPutiens turn molecular building blocks into tiny characters—smart, playful chemistry education at the nanoscale 🔬✨ #chemistry #education #nanotech Read more → folies.moleculair.es/actus/nanopu... ↗

Les NanoPutiens: Les Plus Petits Humains du Monde 🔬 - Folies Moléculaires

folies.moleculair.es

Marc Baaden @baam93.bsky.social · 2d

Les Folies Moléculaires: turning chemistry into playful, accessible learning for the 21st century 🎉 and in French language. Curious how visualization can boost science education? Read more → is.gd/YmdRXe ↗ #chemistry #scicomm #education

I’m happy to share the Les Folies Moléculaires project I worked on. Check it out here (in French only): https://lnkd.in/ePXk4-CX | Marc Baaden

I’m happy to share the Les Folies Moléculaires project I worked on. Check it out here (in French only): https://lnkd.in/ePXk4-CX

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Marc Baaden @baam93.bsky.social · 3d

Membrane charge subtly tunes NOX5 electron flow—systems self‑balance to keep ET slightly favorable 🔬⚡ #nox5 #membranes #electrontransfer Read more →
link.growkudos.com/1e46g8nfbpc

How cell membrane charges fine‑tune electron flow in NOX enzymes

This study explores how NADPH oxidase 5 (NOX5) moves electrons across cell membranes to make reactive oxygen species. Using long molecular dynamics simulations and a linear‑response analysis, the work...

link.growkudos.com

Marc Baaden @baam93.bsky.social · 4d

Forged authorship in academic publishing is escalating—Elsevier retracted a fraudulent paper submitted under a stolen identity, but kept it accessible, raising urgent questions about verification and integrity. 🔍 What do you think? Read more → is.gd/20uq7r

This is quite shocking and a new turn in the fabricated paper business: forging an author's identity.. where is all this going? | Marc Baaden

This is quite shocking and a new turn in the fabricated paper business: forging an author's identity.. where is all this going?

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Marc Baaden @baam93.bsky.social · 5d

Failed experiments aren’t dead ends—they’re data and direction. Log the misses, share the grind, celebrate micro-wins, stay mission-driven 💪 What’s your go-to reset after a flop? #researchlife #labs #science Read more → is.gd/J6B4mB

#molecularscience #researchlife #labmotivation #sciencecommunity | Marc Baaden

After my third failed simulation attempt this week, I found myself staring at page-long log message gibberish instead of the beautiful molecular simulation movie I'd hoped for. Sound familiar? Here's...

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Marc Baaden @baam93.bsky.social · 6d

Missing link in MD analysis: workflow-based, drag-and-drop pipelines to democratize complex tasks, improve reproducibility, and share templates—time to bridge the gap? 🔬✨ What do you think? #moleculardynamics #workflows Read more → is.gd/cAVZrt

#molecularmodelling #workflows #computationalchemistry #bioinformaticstrends #scientificcomputing #moleculardynamics | Marc Baaden

A missing link in molecular dynamics analysis? The Workflow Divide in Scientific Computing - Have you ever noticed that workflow-based software suites like Orange are all the rage in bioinformatics a...

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Marc Baaden @baam93.bsky.social · 7d

Scientists are turning massive MD data into clear, actionable visuals, from classic 3D to VR—bridging complexity and decision-making. Read more → Frontiers review ↗ #moleculardynamics #visualization 🔬 What do you think?

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How Scientists Turn Massive Molecular Simulations into Clear, Useful Pictures | Marc Baaden

Ever wondered how scientists make sense of the billions of atoms and mountains of data churned out by molecular simulations? Our latest review in Frontiers in Bioinformatics dives into the art and sci...

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Marc Baaden @baam93.bsky.social · 8d

Turning jargon into clarity: start with relatable analogies, show real-world impact, and keep it visual ✍️🧶 What strategies help you make science click? Read more → link #scicomm #communication #proteinfolding

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Last weekend, I found myself explaining my molecular research to an elderly person over tea and cookies. As I watched her eyes glaze over at terms like "protein folding" and "molecular ...

Last weekend, I found myself explaining my molecular research to an elderly person over tea and cookies. As I watched her eyes glaze over at terms like "protein folding" and "molecular dynamics," I re...

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Marc Baaden @baam93.bsky.social · 9d

My first big grant taught me this: the hard part isn’t science—it’s people.

Lessons:
1) Lead with impact.
2) Relationships > cold PDFs.
3) Budget for serendipity.

Great science = rigor + emotional intelligence. Humans still decide… for now.

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Looking back at my first major grant application, I wish someone had pulled me aside and shared some hard-earned wisdom. After 25 years in molecular science, here's what I learned the hard way: T...

Looking back at my first major grant application, I wish someone had pulled me aside and shared some hard-earned wisdom. After 25 years in molecular science, here's what I learned the hard way: The s...

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Marc Baaden @baam93.bsky.social · 10d

Quantum vs classical for biomolecular sims: QC still too noisy for complex modeling - Classical dominates most workloads - Hybrids show near-term promise.
Real progress: better error correction, small molecules working. Timeline: 3-5 years. Where do you see QC beating classical first? is.gd/DUNsNX)

Trying to follow a little bit the quantum computing research, as it's getting slowly to the interesting bits. There is of course still a constant battle between quantum hype and quantum reality… |...

Trying to follow a little bit the quantum computing research, as it's getting slowly to the interesting bits. There is of course still a constant battle between quantum hype and quantum reality, espec...

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Marc Baaden @baam93.bsky.social · 10d

Drug design is a 4D puzzle (molecules move!). VR lets teams “see and touch” protein–ligand fits, making AI outputs clearer and decisions faster. We outline tools, use cases, and industry insights—plus what needs fixing (workflow integration, ergonomics, security).
link.growkudos.com/1dwpqnnjk74

Virtual reality for drug design: see, touch, and improve how medicines fit their targets

This article explains how virtual reality helps researchers visualize and interact with 3D, time‑changing protein–ligand structures. It outlines three interactive levels—examining, exploring, and mani...

link.growkudos.com

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Marc Baaden @baam93.bsky.social · 11d

In ML for molecules/materials, the map matters as much as the model. Physics-inspired structural representations give you robustness and transferability—better predictions, wider generalization, reduced overfitting. Fresh review on arXiv: is.gd/UoRvld

Physics-inspired structural representations for molecules and materials

The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic scale structure of matter and its properties, inv...

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Reposted by Marc Baaden

Astropierre @astropierre.com · 15d

Suite à la migration de scientifiques et d'universitaires de X, Bluesky est devenue une l'une des alternatives.

Afin d'évaluer sa viabilité/pertinence pour la communication scientifique, cette étude présente une analyse à grande échelle de la diffusion d'articles scientifiques sur Bluesky.

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Marc Baaden @baam93.bsky.social · Jul 8

link.growkudos.com/1emvj4oya68

Ideas on broadly sharing scientific visualization experiences

Visualization is essential in the scientific discovery cycle and increasingly cross-disciplinary. It allows presenting complex data in a way that makes it more accessible. Here we use in particular th...

link.growkudos.com

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Marc Baaden @baam93.bsky.social · Jun 23

Just discovered SingleFile—a browser extension that lets you save entire web pages as a single HTML file, resources and all. Offline access, zero fuss, and open source. Perfect for digital packrats and research nerds alike! #Productivity #OpenSource see www.getsinglefile.com

SingleFile – Effortlessly Save and Preserve Web Pages

Save an entire web page with all its resources in a single HTML file with SingleFile.

www.getsinglefile.com

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Marc Baaden @baam93.bsky.social · Jun 22

🤖 Weekend thought: Are we steering the AI ship, or is it quietly taking the wheel? Work is speeding up with every new tool, and I can’t tell if I’m more productive or just more… busy. Anyone else riding this workflow rollercoaster? How are you keeping your balance? #FutureOfWork #AIPerspectives

Marc Baaden @baam93.bsky.social · Jun 21

Ever wondered what your lab partner is really looking at in VR? With GazeMolVR, you can literally see their gaze as you explore proteins together—spotlights, trails, the works. It’s like science telepathy for molecules. Remote collaboration just got a major upgrade:
link.growkudos.com/1eu721i08ao

GazeMolVR: See Where Others Look—Collaborative Protein Exploration in Virtual Reality

Ever wish you could see exactly what your colleague is looking at when discussing a complex 3D protein structure? GazeMolVR makes that possible. This tool puts two scientists (or students, or anyone!)...

link.growkudos.com

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Reposted by Marc Baaden

Gaby Wald @gabywald.bsky.social · Jun 19

Par @pierrepo.bsky.social : "Partage et réutilisation des données de simulations de dynamique moléculaire : qu'avons-nous raté ? "

#Bioinformatics #Data #Science #OpenData #OpenScience ça discute aussi modélisation moléculaire, métadonnées et IA !

videos.univ-grenoble-alpes.fr/video/31805-...

Partage et réutilisation des données de simulations de dynamique moléculaire : qu'avons-nous raté ?

Session 2 : Assurer les conditions de la réutilisabilité Success stories réutilisation des données Partage et réutilisation des données de simulations de dynamique moléculaire : qu'avons-nous raté ? ...

videos.univ-grenoble-alpes.fr

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