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## A71EV2A
### x0310:
* protein-ligand clash - wrong protein conformation exported?
* event map poor, diff map great - map files switched?
### x0416
[(mis-rendered) snapshot here]…
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Hello,
Thank you for such a wonderful tool! I am trying to run tensor decomposition on my data to compare communication networks in treated vs. untreated samples, but I get the following error I ca…
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- [x] Layla: Generate target pharmacophore models
- [ ] Renan: Generate classifier based on clustering of scaffolds
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# I am adding these comments in English thinking of the possible access by your supervisor in Cambridge, to monitor the 'past' of the project. Eventually you might invite him.
Polypharmacology. Idea …
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Some targets were aligned to the wrong xtal chain and therefore received bad RMSDs. Something probably went wrong during chain splitting/permutation/alignment.
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Hello, I download the source code and extract the data set PDB file, run the problem occurred, how to solve it
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Evaluations took a long time (30,000+ seconds per evaluation) for 2017 week 48. Digging into the final.log files for the various evaluations, it was seen that **5mva** took a long time to evaluate. He…
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@ConorFWild
The CHIKV upload flushed out a bug in the algorithm, as discussed [here in Slack](https://xchem-workspace.slack.com/archives/C069ZQUN9PY/p1709678447258599):
Bug: If something …
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Recently I have noticed that when I tried to visualize up-regulated and down-regulated signaling ligand-receptor pairs using bubble plot, sampe LR pairs appears in both the up-regulated side and down-…
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This may be a tricky issue to solve.
When using a path based dock, there is a drift that nudges the ligand towards the current path node. If the ligand has formed a bond with the receptor, that bon…