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I wish to perform a docking simulation involving a single ligand and a single protein. And then use this code in 'https://github.com/deepmodeling/Uni-Mol/tree/main/unimol'
`nthreads=20 # Num of th…
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We want the demo at the end of this year to be related to inborn errors of metabolism. We therefore need clean sources of metabolic data. Right now, a lot of folks are getting relationships from plac…
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this is not a "soon" issue, but there appears to be substantial opportunity for using amino acid k-mers to find contamination...
e.g. https://github.com/bluegenes/2020-gtdb-smash/issues/1
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add the protein interaction data from wormbase.
note that these encompass genetic and physical interactions, as well as group-wise interactions in complexes, which requires a bit of modeling.
the …
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THis is mitochondrial termination factor
- [ ] Mterf4 | mitochondrial transcription termination factor 4 | | protein targeting to mitochondrion | | MGI | Mus musculus | IMP | | cgi-12 protein…
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Hi,
When pass my DIANN result file to the `make_se_from_files` function, it returns the following error:
```
Error in `.rowNamesDF
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Google spreadsheet for tracking status:
https://docs.google.com/spreadsheets/d/1Ph7w-dLAFNJJY3-8i5kgDRstBedg9a8zVmHbVyWgK_I/edit?gid=1076042544#gid=1076042544
Folder with individual files
https://dr…
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For #https://github.com/geneontology/go-ontology/issues/21269
GO:0030970 retrograde protein transport, ER to cytosol
GO:1904211 membrane protein proteolysis involved in retrograde protein transpor…
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Hi, how to deal with a system containing metals？
And the protonation state of the atoms chelated with metals?
Also, how to relax water?
Thank you!
[7xrl](https://www.rcsb.org/structure/7xrl) a…