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Hi,
Thanks a lot for the wonderful work. I noticed that 'covalent modification' is [possible](https://www.chaidiscovery.com/blog/introducing-chai-1#:~:text=covalent%20modifications) to predict usin…
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I performed covalent docking using meeko and autodock, When I received the results the dlg file seems to be missing some atoms. I’m not able to create a file for md simulation because it shows incorre…
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Upon obtaining the crystal data of the merges, we have been analyzing PyMol sessions for a potential site for covalent modification. The analysis seems to suggest Cys34 could be an interesting residue…
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```
========================================================================================= FAILURES ==========================================================================================
____…
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The PMID:25211582 has not been integrated into `human_protein_citations_mutation_literature.csv` because it has been replaced with PMID:25296354 (https://pubmed.ncbi.nlm.nih.gov/25296354/).
In the…
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## Tutorial Topic
Add an example of using historical data indexing from Covalent.
## Why this topic should be covered
[Covalent](https://www.covalenthq.com/) is a popular indexing solution servi…
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hello, I am curious whether this approach of covalent docking can be extended to non-protein structures like heme and other small molecules.
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Hi all,
I'm trying to perform a covalent docking on a LYS using as worhead a benzenesulfonyl fluoride in which the LYS should do a SN2 on the fluoride bonding with the S (e.g. `FS(=O)(=O)[#6]-1=[#6]-…
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```
1. Description of the new feature
Implement the possibility of covalent modifications of the channel
2. Classes and or functions involved
ABC_Markov_Model
```
Original issue reported on code.…
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Ryan's latest A71EV2A upload (July 10th 2024 on staging) includes four covalent fragments: x1775, x1776, x1778, x1779 that are not showing as covalently bound to the Cys110 protein residue.
@boriskov…