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proteinator.bsky.social
PhD candidate in bioinformatics Protein structure prediction / Protein design
24 posts 29 followers 72 following
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A Perspective by @stephanieaw.bsky.social and @fraserlab.com discusses ways macromolecules use conformational entropy to control binding, catalysis, and allostery www.nature.com/articles/s41...

looks like it works, I was able to tariff my numpy installation: pypi.org/project/tari...

BioRxiV is very slow, so this appeared in Authorea before www.authorea.com/users/436643...

Join our efforts in biomolecular design at MPIP!

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...

Small proteins can be more complex than they look! We know proteins fluctuate between different conformations- but by how much? How does it vary from protein to protein? Can highly stable domains have low stability segments? @ajrferrari.bsky.social experimentally tested >5,000 domains to find out!

Enjoyed a lot meeting all my old friends and listening to their great talks at Mosbacher Kolloquium this week! @leif-seute.bsky.social @maxfus.bsky.social

AI.zymes - A modular platform for evolutionary enzyme design [new] AI.zymes: Optimizes enzymes via Rosetta, ESMFold in evolution. Improves untargeted properties like electrostatic catalysis.

Mounted a co-author 😎

I'm super excited to share my recent work with @grocklin.bsky.social “Structural and energetic analysis of stabilizing indel mutations” biorxiv.org/content/10.1.... 1/8

Implicit modeling of the conformational landscape and sequence allows scoring and generation of stable proteins [new] Jointly optimizing structure & seq. improves conf. landscapes & protein designs over single objectives.

So excited to preprint this work!!

Excited about BioEmu? Opening this position for just a few days over #NeurIPS2024. Looking especially for Bioinformatics + Structural Biology skills, MD/Stat Mech skills and/or #deeplearning architecture design + engineering skills aka.ms/ai4science-r...