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_A colleague from the lab made this little sum up of modular transcription based biosensors. It is definitely worth reading and maybe even creating our own version in Portuguese? Why not..._
### Tr…
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I wonder what is the unit of vina's map size. Typically the CNN scoring functions only accept box as 20*20*20 A to score, but when I use this size in vina, some ligands seem to be out of it.(center se…
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Doesn't do anything anymore.
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Hi,
Here is how to reproduce
`wget http://dude.docking.org/targets/abl1/crystal_ligand.mol2`
And the python code
```
from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem.rdMolAlig…
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I tried to use different ligands to dock with the proteins in the repo .According to the files in your examples, when I tried to dock with 2br1_protein.pdb and 2wtv_protein.pdb, it worked .But when I …
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Hi,
Thank you very much for your Omnipath database.
Now I have some information about ligands and receptors, but I want to know what are the transcription factors and target genes downstream of…
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Transformations from ligand 0 to ligands 56-60 appear to have failed:
JSON entries
```JSON
"55": {
"JOBID": 55,
"directory": "RUN54",
"end": 56,
"ff": "…
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Is there a helper function to draw paired arrow lot with ligands receptors and targets such as this one ideally with mean expression?
Result: the atom mapping fails, and the edge does not run
```
Traceback (most recent call last)…
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this is a fun one, here's the error:
```
Traceback (most recent call last):
File "/home/paynea/miniforge3/envs/asapdiscovery/bin/asap-docking", line 8, in
sys.exit(docking())
File "/lila…