Marc Baaden

Publish or perish.. that was yesterday. How does the academic trade look nowadays? A small week-end animation to get a discussion going :)

#academia #publish #perish

Diverse teams drive smarter computational chemistry—new ideas, better checks, faster progress ⚗🌍 Let’s champion inclusion and share initiatives that work. What’s moved the needle for you?

Read more → link : idees.moleculair.es/diversity

#compchem #diversity #stem

Machine learning can spot and classify subtle membrane protein moves at scale—faster, sharper, and improving with each run 🤖🧪 What do you think? Read more → link #moleculardynamics #machinelearning #bioinformatics

idees.moleculair.es/md-ml

AI boosts prediction, but force fields keep us honest—combine both for power + clarity ⚗🤖 What do you think? Read more → link below

#moleculardynamics #computationalchemistry #ai

idees.moleculair.es/aiforcefields

Beautiful ≠ truthful: prioritize scale, color, and clarity over rainbow‑pretty proteins—function first, form second. 🎯🔬 #scientificvisualization #molecularscience What’s your top visualization pet peeve? Read more →

idees.moleculair.es/molvis-preci...

Human-in-the-loop turns raw models into smarter, creative science—experienced chemists guide edge cases, interactivity and visualization steer breakthroughs 🧠⚗ Read more → link. #molecularmodeling #humanaicollaboration

Idées Moléculaires ↗ idees.moleculair.es/humanloop

French modeling is leaning hard into multi‑scale: electrons in membranes, nucleosomal DNA damage, and α7 nAChR allostery—clear momentum 📈🔬 What do you think? Read more → Multi‑Scale Molecular Simulations at GGMM 2025: idees.moleculair.es/ggmm25-multi... ↗ #multiscale #computationalchemistry #france

Proteins aren’t static snapshots—they’re dynamic ensembles driving function ⚡ Let’s think beyond single structures and embrace motion to truly understand biology. What do you think? 🔬 #proteindynamics #molecularmotion

idees.moleculair.es/proteins-in-...

Day 1 at GGMM 2025: a retrospective on a milestone for the French molecular modeling community—spotlighting structural bioinformatics, AI, integrative modeling, and dazzling visualization, plus my MolPlay poster demo 🎯🧬 Read more → idees.moleculair.es/ggmm2025-day1 - Forges-Les-Eaux 🧬✨ ↗ #ggmm2025

Try Comet with Pro included For a limited time, get access to Comet with a month of free Perplexity Pro

Free month of Comet Pro for research/coding/agentic browsing—try it here: pplx.ai/drbaaden7033 ↗ (opt‑in only; I get a small referral bonus; try if useful). ⚗️✨🧪 #ai #research #coding

Curiosity vs credibility in peer review: should journals entertain whimsical ideas or enforce firmer guardrails? 🧪🛰️ What’s the strangest paper you’ve seen—and did it change your view?

Read more → idees.moleculair.es/saturn-neuro...

↗ #peerreview #openscience #academia

Human intuition still matters in computational chemistry: when the numbers look perfect but feel wrong, step back, sketch, let experience guide the model — breakthroughs may happen 🔬✨ What do you think? Read more → idees.moleculair.es/humanedge

#computationalchemistry #research #innovation

AI retrosynthesis shines on easy routes but stalls when synthetic accessibility drops—hard molecules still beat smart models. ⚗️🤖 What’s your experience? Read more → Idées Moléculaires ↗ #chemistry #ai #retrosynthesis

idees.moleculair.es/retrosynthesis

Fête de la science au Grand Palais - Palais de la découverte Venez expérimenter les sciences avec les médiateurs du Palais de la découverte, discuter avec des scientifiques et découvrir l'exposition Transparence au Palais

Curiosity takes the stage at the Grand Palais: live demos linking chemistry, simulations, and hands-on learning—turn wonder into action 🔬✨ #fetedelascience #simulationmoléculaire Read more → www.palais-decouverte.fr/au-programme...

Fête de la Science at LFIV Francfort: from deforming metals to virtual molecule journeys, students brought sharp questions and real wonder ✨🔬 Gratitude to CNRS and the Embassy teams. #science #education #vr

MD myth-busting: results hinge on force fields, smart sampling, and realistic scope—not just longer runs. Let’s share what’s worked (and failed) in practice. 🔬💡 What do you think?

Read more → idees.moleculair.es/md-myths

↗ #moleculardynamics #computationalchemistry #research

Innovation thrives with boundaries—rest fuels better science and sustainable impact. Set limits, find mentors, track mental health, celebrate small wins. What’s your go-to balance habit? 💡🧠

Read more → mindlab.marc-baaden.de/noburnout

↗ #research #wellbeing #academia

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...

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... ↗

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

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

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...

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

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?

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

#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...

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

#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...

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

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...

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?

is.gd/1MefYo

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...

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

is.gd/d3XH0m

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...

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.

is.gd/a7i1jd

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...

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)

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...

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

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