ikalvet.bsky.social
Indrek Kalvet
@ikalvet.bsky.social
230 followers 75 following 4 posts
🇪🇪 De Novo enzyme design • HHMI Postdoc at the Institute for Protein Design at University of Washington
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ikalvet.bsky.social
Indrek Kalvet @ikalvet.bsky.social · Aug 22
(oops, that is supposed to be a GIF, but it doesn't work on bsky...)
ikalvet.bsky.social
Indrek Kalvet @ikalvet.bsky.social · Aug 22
RFdiffusion2 is now live!
github.com/RosettaCommo...

You can now design proteins, and in particular enzymes from just partially defined amino acid side chains, and without defining their sequence position or order!
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ikalvet.bsky.social
Indrek Kalvet @ikalvet.bsky.social · Feb 13
PLACER played a valuable role in helping my colleagues Anna and @spellock.bsky.social design novel serine hydrolases from scratch:
www.science.org/doi/10.1126/...
Computational design of serine hydrolases
The design of enzymes with complex active sites that mediate multistep reactions remains an outstanding challenge. With serine hydrolases as a model system, we combined the generative capabilities of ...
www.science.org
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ikalvet.bsky.social
Indrek Kalvet @ikalvet.bsky.social · Feb 13
We are happy to share that the code and weights of PLACER (formerly known as ChemNet) are now public!
This method allows for rapid evaluation of protein side chain and ligand conformational ensembles, with uses in ligand docking and enzyme evaluation.
github.com/baker-labora...
GitHub - baker-laboratory/PLACER: PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
PLACER is graph neural network for local prediction of protein-ligand conformational ensembles. - baker-laboratory/PLACER
github.com
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