GitHub - bunzela/AIzymes
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What enzyme would YOU like to design?
AI.zymes is ready to tackle new challenges with its modular, expandable framework.
Checkout the code on GitHub: github.com/bunzela/AIzy...
Reach out: adrian.bunzel@mpi-marburg.mpg.de and use AI.zymes to improve your favorite enzyme!๐๐ฌ
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As a test-case, we targeted the promiscuous activity of a natural enzyme resulting in:
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7.7ร higher activity
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extreme thermostability
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only 7 variants tested
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How does AI.zymes work?
AI.zymes combines the best of๐ ๏ธ#Rosetta,๐ง #ProteinMPNN,๐ฎ#ESMFold, andโก#FieldTools in rounds of design and selection.
Unlike other enzyme design algorithms, AI.zymes can directly target biocatalytic properties โ not just folding or stability.
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๐จOut now in Angewandte Chemie:
AI.zymes - A modular platform for evolutionary enzyme design.
AI.zymes integrates established and emerging bioengineering tools into a coherent pipeline for #enzymedesign.
๐Paper: doi.org/10.1002/anie...
๐ปGitHub: github.com/bunzela/AIzy...
30.04.2025 17:34 โ
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Ammonia is key to fertilizers and essential to feed the world.๐Its industrial production consumes ~2% of the global energy.
In this fully funded PhD project, you'll combine #enzymedesign and #directedevolution to turn nitrogen into ammonia.๐ก๐ฑ
25.03.2025 08:52 โ
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๐จ Donโt miss your chance to apply for the 3 open PhD positions in our group!
๐ Project I : #computationaldesign of #photoenzymes for solar-driven nitrogen reduction to ammonia.
๐งช Apply now! Screening starts April 1
๐ mpg.de/24336572/phd...
@mpimicrobiomarburg.bsky.social @maxplanck.de
25.03.2025 08:52 โ
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A huge thanks to my past and present group members, mentors, and collaborators who have supported this journey!
#Biocatalysis #EnzymeEngineering #Photoenzymes #SustainableChemistry #DirectedEvolution #ComputationalBiology #ProteinDesign #Hiring #PhDPositions
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Three PhD positions | Computational protein design
Three PhD postiions in computational protein design
๐ฌ Join us! We are hiring three PhD students to advance enzyme design and develop photoenzymes for carbon capture and nitrogen fixation. If you are passionate about protein engineering, computational modeling, or synthetic biology, check out the job openings!
๐ www.mpg.de/24336572/phd...
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Three PhD positions | Computational protein design
Three PhD postiions in computational protein design
๐ Exciting news! This summer, my group joins @mpimicrobiomarburg.bsky.social l to create photoenzymes for solar energy conversion & carbon capture. With #ProteinDesign ๐ฅ๏ธ & #DirectedEvolution ๐งฌ, weโll push enzyme design to new limits for a sustainable future!
#Hiring www.mpg.de/24336572/phd...
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AI.zymes was developed primarily by Master students at
ETH Zurich and U Bristol!
Thanks to Lucas, Jannik, Abbie, Vivienne, Moor, Tudor, and Adrian for advancing #enzymedesign and bringing AI.zymes to life!๐
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Whatโs next? What enzyme would YOU like to design? AI.zymes is ready to tackle new challenges with its modular, expandable framework.
Reach out to adrian.bunzel@bsse.ethz.ch to use AI.zymes to improve your favorite enzyme!๐๐ฌ
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Experimental validation:
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7.7x higher activity after evolutionary design.
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thermostable and monomeric.
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only 7 variants testedโa remarkable success rate!
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Designing electrostatic catalysis has been a long-standing challengeโuntil now.โก
AI.zymes improves electrostatic catalysis NOT through design algorithms aimed at electrostatics - BUT by evolutionary selection to enrich stable proteins with beneficial electrostatics.๐ก
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What is AI.zymes?๐ค Using evolutionary design, AI.zymes combines the best of๐ ๏ธ #Rosetta๐งฌ#ProteinMPNN๐ #ESMFold andโก #FieldTools.
Unlike other algorithms, AI.zymes specifically optimizes biocatalytic properties.
And itโs highly modular, ready to expand as new tools emerge!
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๐จPreprint Alert!๐จ
#ProteinDesign is advancing rapidlyโwouldn't it be great to seamlessly combine design tools to achieve more than what each can do alone?๐ค
Here, we introduce AI.zymes: A modular platform for evolutionary #EnzymeDesign.โป๏ธ๐ฅ๏ธ
biorxiv.org/content/10.1...
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