-
Hi,
I got several questions. Help is appreciated.
I am confused about how to determine the vector values for my system. What I did was use the coordinate of faraway water to subtract my ligand'…
-
Hello Everyone!
I'm Daniel, a PhD student at [saezlab](https://saezlab.org/). I'm opening this GitHub issue motivated by our recent comparison of cell-cell communication methods[1] as well as disc…
-
https://www.youtube.com/watch?v=TUyo8NFi_3Q&list=PLHn7WmALbthnAwbJ4mWw5gk8dgqsjRL87&ab_channel=Prof.JeffreyJ.GrayatJohnsHopkinsUniversity
-
Hi,
Machine - Windows
Exe - Version 5 shared on 8 Sep
For Blind docking, 'Protein_filename_BLIND' job gets submitted and throws output as fill points, EPV and volume etc. When we select one bi…
-
Binding energies between ligand and receptor should be computed relative to the receptor's internal binding energies. Before docking the ligand, the entire receptor, or at least the binding pocket, sh…
-
LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening
https://pubs.acs.org/doi/10.1021/acs.jcim.0c00155
Dataset:
https://drugdesign.unistra.fr/LIT-PCBA/
-
1) Definition problem with GO:0031555 ! transcriptional attenuation
current definition: "Regulation of transcription through variation in where transcription termination occurs"
Attenuation invo…
-
Hi, I want to have a python tree object of the ubergraph. What would be the recommended way to get there?
I have a solution, but it is very unsatisfying:
1. Using the ["https://ubergraph.apps.renc…
-
Hi Sebastian,
Very interesting work! Thanks for sharing!
I am not sure if I understood the paper properly, but it seems that only protein targets with known peptide binders in PDB are suitable …
-
It seems there is a limit on individual sumbitted mgfs (I am not sure how big, I've been told by collaborator it's 2GB per file, but I cannot find it).
Is there some simple way to extend that limit…