-
The paper cites the protein vectors in Alshahrani,M. et al. (2017). Did you use exactly the same vectors by Alshahrani,M. et al. (2017)? In this paper Alshahrani,M. et al. (2017), there 6 other databa…
-
Hi, recently I buy lot of memory to do bigger structure interactions, and I have the impression Alpha Pulldown cannot take more than 10 proteins (here 20). Maybe it's cause the name is too long ?
T…
-
Respected Sir,
Greetings.
I, S.R. Vignesh, am a Research Scholar at the Indian Institute of Technology - Guwahati (IIT-G) working under the guidance of Dr. Priyadarshi Satpati, in computational s…
-
This software is very impressive!
Is it possible to add a feature for direct upload of PDB files or ligand sdf/mol2 files for protein-ligand binding prediction or protein-proterin binding prediction…
-
https://github.com/molstar/molstar/blob/c53b651472c63adaf1115753375bdea6e5b56045/src/mol-model-props/computed/chemistry/valence-model.ts#L40-L67
This affects H-bond calculation, because the ideal d…
-
Hi,
in the tutorial for the section https://prolif.readthedocs.io/en/stable/notebooks/docking.html#docking
about
"You can also compare two different poses on the same view, and the protein residues…
-
Follow on issue for #155
We'd like to support Protein-Ligand Interaction Graphs eg as shown in this image from [this paper](https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c01830).
![image](http…
-
I encountered a problem when using YASARA to calculate hydrogen bonds, PIPI bonds, ca-pi bonds and saltbrige between proteins and small molecules.
My yasara version is: 22.5.22.
The command I used…
-
#### Current behavior:
45 genes are discovered to be uncorrelated with their corresponding reactions in `Transport reactions`.
| Gene| UniProtID| Reaction| GPR| Correlation| Manually check|
…
-
50 genes are discovered to be uncorrelated with their corresponding reactions in `Transport reactions`.
| Gene| UniProtID| Reaction| GPR| Correlation| Manually check |
|-------|-------------|---…