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jmbuhr.de
Computational Biochemist, PhD Student at Heidelberg University and HITS with a love for teaching, theatre, climbing and movement. Send otter videos 🦦 https://jmbuhr.de/ #rstats #python #science #compchem #biochem #linux #quarto #lua #neovim
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Posts 28 Comments 11

Okay hear me out, what if building your protein model was a first person horror survival experience?? #MolecularNodes #b3d #GeometryNodes 🧪

submitted 15 days ago • 13 comments

So who is going to be ⭐1000? #MolecularNodes

submitted 34 days ago • 0 comments

Job alert: Join us in Mainz as Max Planck Research Group Leader (W2) in Molecular Design ...and make your own research dreams happen on de novo design, generative models, proteins, materials ... tinyurl.com/r2xjxnuk @mpip-mainz.mpg.de

submitted 39 days ago • 1 comment

Wondering how to predict protein flexibility in a sec? No time to run MD simulations but want to go beyond pLDDT? Check out BBFlow arxiv.org/html/2503.05... Useful in particular for de novo designs. Led by Nico Wolf & Leif Seute, w Seva, Simon, and Jan. @mpip-mainz.mpg.de @hitsters.bsky.social

submitted 44 days ago • 0 comments

A while online now already: Predict the barrier of a reaction without knowing the transition state and in the low data regime using Gaussian Process regr. Led by Evgeni Ulanov, with Ghulam, Kai and Pascal Friederich @ KIT. @mpip-mainz.mpg.de @hitsters.bsky.social pubs.rsc.org/en/content/a...

submitted 44 days ago • 0 comments

There are too many now to keep up with.

submitted 46 days ago • 0 comments

It's important to communicate to the public the importance of basic science. Coco is happy to help explain drug binding mechanisms and enzyme kinetics basics: #scicomm

submitted 76 days ago • 0 comments

Use this form to tell us how the new US administration is affecting your research, or suggest future coverage https://go.nature.com/42SyoUu

submitted 89 days ago • 0 comments

This is Charlie. He has literal heart-eyes. 14/10 would be an honor to pet (IG: charlie.the.dalmatian)

submitted 88 days ago • 71 comments

This is Drake. He is very happy to see you. Saw you about five minutes ago, but is thrilled it's happening again. 12/10

submitted 104 days ago • 130 comments

Grappa is out: pubs.rsc.org/en/content/a... We are looking forward to feedback from and extensions by the community! Try it out for your favorite (bio)molecules - ligands, post-translational modifications, metal-enzymes, DNA, ...

submitted 109 days ago • 2 comments

Just had my first experience reviewing a paper which was obviously LLM garbage. If you’re a journal editor who wants to find real peer reviewers in the future, do not ask us to review things which are clearly not real after reading two paragraphs. 🧪

submitted 111 days ago • 0 comments

Where does DNA break when pulled? We can tune it! Paper led by Johannes Hahmann, MD simulations by Boris, great collaboration with Herrmann and Goestl labs @ RTWH www.sciencedirect.com/science/arti...

submitted 117 days ago • 0 comments

Hallo Bluesky! Wir sind die Deutsche Forschungsgemeinschaft. #DFG Als Selbstverwaltungsorganisation der #Wissenschaft in Deutschland fÜrdern wir erkenntnisgeleitete #Forschung. Hier erhaltet Ihr Infos u.a. zu FÜrderangeboten, Ausschreibungen und Anträgen. Wir freuen uns auf den Austausch!

submitted 120 days ago • 81 comments

Da schau an: Die DFG verlässt X! Again: Gute Argumente in der Wissenschaftspolitik zahlen sich aus. Hartnäckigkeit ebenso. #eXit @zolke.bsky.social

submitted 120 days ago • 12 comments

Was verbindet diese beeindruckende Vielzahl deutscher Hochschulen und Universitäten? Sie haben heute gemeinsam bekannt gegeben, dass sie sich von Elon Musks Plattform X (ehemals Twitter) zurßckziehen. MÜge der Rest dem guten Beispiel folgen. Es ist an der Zeit.

submitted 124 days ago • 80 comments

NEW: Meta changed its Community Guidelines today to permit "allegations of mental illness or abnormality when based on gender or sexual orientation, given political and religious discourse about transgenderism and homosexuality" @knibbs.bsky.social www.wired.com/story/meta-i...

submitted 126 days ago • 163 comments

Haha very funny guys. Sending in photos without dogs in them. Thought we just wouldn’t notice? Hilarious. Still 12/10 for the blanket

submitted 153 days ago • 83 comments

Dear followers, As of today, we will cease all activity on X. This applies to both our profiles HITStudies and SIMPLAIX. In future, we'll be sharing our news and events on BlueSky and we hope you will join us at hitsters.bsky.social. Photo Š Alexandre Debiève

submitted 155 days ago • 0 comments

how do you all remember every UUID? I find it really hard. so I wrote them all down on every uuid dot com the list has fast search across all 2^122 values (so you can find your favorites) - hoping to add some social features like "trending UUIDs" soon!

submitted 158 days ago • 51 comments

Multiple PhD positions available in our group in the field of computational and theoretical chemistry Feel free to forward the info and please apply via [email protected]

submitted 160 days ago • 0 comments

📣 The BioExcel Summer School on Biomolecular Simulations 2025 is now open for applications Our flagship #training event will take place 8-13 June 2025 in Sardinia, Italy 🌞⛱️ For more information and how to apply ➡️https://bit.ly/4ihQCUI

submitted 163 days ago • 0 comments

Women are under-represented at senior levels in #academia globally, & across all #science 🧪 disciplines, as shown by these "scissor-shaped curves" ✂️ So how can we ever achieve #gender #equality? We discuss various strategies in this #Cell Commentary #WomeninSTEM www.cell.com/cell/fulltex... 🧵 1/

submitted 169 days ago • 35 comments

I made a MD starter pack! Dm or reply to be added ☺️☺️ go.bsky.app/QQjPjbL

submitted 175 days ago • 44 comments

The incredibly wonderful @bnewbold.net, who encouraged me to write up my "How decentralized is Bluesky, really?" blogpost, wrote up his response: whtwnd.com/bnewbold.net... I'm reading it now. I'll spend some time mulling it over before I make my "reply-reply" but maybe you should read it too!

submitted 168 days ago • 7 comments

Just got some nice positional averaging inside of #MolecularNodes. Smooth out trajectories across frames when visualising, add subframes, also takes into account periodic boundary crossing so you don't have zooming lipids #b3d #GeometryNodes #GlycoTime #SciArt

submitted 169 days ago • 2 comments

Quarto 1.6 is out! 🎉 Download it here: quarto.org/docs/download/ Quarto 1.6 supports unified branding across formats, updates to RevealJS, a new shortcode to reorder content, a landscape page block, and more. Blog post: quarto.org/docs/blog/po...

submitted 169 days ago • 2 comments

How Decentralized Is Bluesky Really? dustycloud.org/blog/how-dec... A technical deep-dive, since people have been asking me for my thoughts. I'll expand a bit on some of the key points here in a thread. 🧵

submitted 172 days ago • 57 comments