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Hello!
I have a query concerning a specific aspect of protein-ligand systems. In cases where both the protein and ligand are identical, but the final conformation varies due to sampling of the protei…
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### Issue summary
### Steps to reproduce
Dear developer,
I am a beginner in this area and have tested using examples in [example colab notebook](https://colab.research.google.com/drive/1QYo5Q…
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Hi,here
I want to reproduce the performance of ACNN in protein-ligand binding affinity, but I can't find the pre-trained model.How can I obtain the .pth file for ACNN? Thanks for your reply.
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Dear at Yank!
I need your valuable yank software in my research project, so im committed to learn about your tool and use it properly. off course i read the documentation but that was not enough hel…
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Ultimately, the value of the LS model is to identify when Gas6 and PROS1 operate differently, either alone or when present in combination. If we identify cases where these behaviors take place, they c…
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hi, I am a new one to galaxy.
And I want to write a new tool.
My scrip is here and it's for ledock.
And when it runs, errors are here:
```
/Users/sujiaqi/Desktop/Github/galaxy/database/jobs_direc…
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**MCATS Questions Focused on Molecular & Cellular Physiology**
**1. Major histocompatibility complex (MHC) refers to a large group of genes that code for proteins that play an essential role in whi…
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Version: PRinS3_V_2_1_0_Windows
OS- Windows 10
Issue: The MD error "Refrence frame for RMSD not created" is coming for certain combinations due to the detachment of ligand from the binding pocket …
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Hi,
1- New term request: Fibroblast growth factor signalling pathway
2- New term request: Positive regulation of fibroblast growth factor signalling pathway
The request is supported by Fig. 3C, 4A,…
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We want to see an allosteric conformational change in our complex for a 10 to 15 millisecond time scale frame. We have plans to make the system hybrid. Water and membrane will have a coarse grain, pr…