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On Thu, Mar 7, 2024 at 1:09 PM Chenghua Shao wrote:
Hi Raja,
This is Chenghua from RCSB PDB. Jasmine and I just had a brief talk and we are thinking about the possibility of having GlyGen-PDB cr…
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Hi!
First of all, thank you for putting together such a nice pipeline! It's very convenient to have all of these tools in one place.
I installed BEAV using conda as per instruction on the readme…
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Hi all!
For my project, I wish to describe the protein-ligand interactions between Mur Ligase and a known inhibitor, and hopefully, use this information to modify the molecule to extend its spectr…
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Hi. I am trying to follow the documentation to install and train the model.
I have successfully installed everything and have run the following commands so far, also successfully:
bash scripts/down…
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When pushing estruct into iData, a few methods are found failing:
```
runtest(iData)
Running runtest (iData) for 238 methods (from /home/farhi)
Done runtest (iData)
runtest: iData 307 tests f…
farhi updated
3 years ago
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**Is your feature request related to a problem? Please describe.**
I worked with a user to take a H-less ligand from the PDB and combine it with the information in the PDB ligand's SMILES to produc…
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In the long term, our serialization needs will likely be quite complex. To scratch the surface:
- Storing molecules & feature lists
- Storing assemblies (including subassemblies, which may mean refe…
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Just saw this tweet announcing a human brain MRI at 100µm isotropic resolution. This could be a very cool dataset to use as a napari demo. I suggest we use this issue to keep track of datasets that we…
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1. どんなもの?(Abstract, Conclusion)
本論文は、AbAdaptという抗体-抗原複合体の構造をが配列情報から予測する手法を提案した。この手法では、分子ドッキングと3Dモデリングを組み合わせた。また、直接配列を入力とし、立体構造を出力するパイプラインをサーバー上に構築した。
2. 先行研究と比べてどこがすごいの?(先行研究, どんな問題を解決した)
抗体と抗原の複合…