andressanchezr4

Adding new modified aminoacids

3

I was using pdbfixer and found that some modified aminoacid-canonical aminoacid pairs were missing in the "substitution" dictionary. This threw errors when trying to run it. I fixed it just...

Attached ligand to protein

10

I was wondering what would happen with the score for a pocket if a ligand attached to the peptidic chain was present in such potential pocket, would the score for...

Metalloprotein biased maps with Vina

3

I was checking the metalloprotein bias docking proposed in this [paper](https://pubs.acs.org/doi/10.1021/acs.jcim.3c01853) and I was wondering if it would make sense to use these biased maps with vina. Would those dockings...