This will be available in an upcoming software release of the Schrödinger suite. We have exciting plans to continue enablement of macrocycle drug discovery. Read more in our preprint: https://t.co/TOHFQu3uBj 🧵7/7
Excited to share a recent preprint from my work at Schrödinger! We outline a new approach for flexible docking of macrocyclic ligands and benchmarked this on a manually curated dataset of macrocycle-receptor complexes. 🧵1/7
Protein function often depends on protein dynamics. To design proteins that function like natural ones, how do we predict their dynamics?
@HWaymentSteele and I are thrilled to share the first big, experimental datasets on protein dynamics and our new model: Dyna-1!
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Just now: @arcinstitute and @nvidia release Evo 2, the largest AI model for biology. It is fully open-source.
Evo 2 can predict which mutations in a gene are likely to be pathogenic, or even design entire eukaryotic genomes.
We covered it in @AsimovPress! Check it out 🔻
Today we introduce an AI co-scientist system, designed to go beyond deep research tools to aid scientists in generating novel hypotheses & research strategies. Learn more, including how to join the Trusted Tester Program, at https://t.co/1eqmTTZOLr
Excited to share my first, first-author manuscript on the role of Signal Peptide Peptidase in membrane protein quality control. Massive thanks to our collaborators, @Marius_Lemberg @donem_avci@RobinCorey1 and postdoc @MichaelvdWeijer@Dunn_School
https://t.co/5sTmW6HmqU
Just out from the Carvalho lab!!! Yours truly, @NickoSunway123 and colleagues together with @LuLin_Jiang and @TrostLab
discover a new role for the RNF185-Membralin ERAD complex in regulating Tapasin assembly with the PLC! Get it while it's hot!
https://t.co/LgTBNAhi9F
Reducing the complexity of a fascinating molecular motor. Read our Behind the Paper blog, where we detail our journey to deciphering the structural basis for how bacterial flagella shift into reverse gear: https://t.co/ki0UnetrIw