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Example: https://mila.quebec/en/publications/
It would be nice to reuse the same code as in the Mila website. Not sure if that's 'easily' possible via RTD
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Fix HTML rendering of list items:
> This dictionary is composed of two levels: - First level is the detected binding sites. - For each binding site, we have one more sub-dictionary containing eight…
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**Description**
As we discussed on Slack, when I put a `Topology` of a solvated protein-ligand system through `ForceField.create_interchange()` with a force field made by combining the Amber port w…
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### 路由地址
```routes
/acs/journal/:id
```
### 完整路由地址
```fullroutes
/acs/journal/accacs
/acs/journal/jacsat
```
### 相关文档
https://docs.rsshub.app/journal.html#american-chemistry-so…
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Next step of my internship
## Background
With molecules from parquet files, the PDB identifiers have been obtained with UniChem. From this, the PDB ID of structures in complex with the molecules…
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Hi,
I'm attempting to use BioSimSpace to simulate an amber system which I obtained from [this](https://doi.org/10.1021/acs.jpcb.6b03296) paper (supplementary files -> ligand 3K, complex) using GRO…
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We are trying to troubleshoot some issues using perses on some ligand transformations. We're testing a single forward and backward transformation ( A-> B and B -> A) which is the most trivial closed c…
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See this ticket, starting from this comment yesterday: https://github.com/geneontology/go-ontology/issues/21217#issuecomment-1066102512
@balhoff summarizes:
> The owltools taxon subset command i…
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Very excited to see BERN2! Really nice work so far.
I'm looking to map certain mentions of proteins to standard identifiers. Here's a list of these proteins, where each protein is also followed by …
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Hello,
I have a pretty complex anaconda environment which enable me to process proteins and ligands, run a virtual screening, prepare structures for MD simulations. I would like to analyze the resu…