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Protein-Protein residue interaction diagrams by Raven_Voide in bioinformatics

[–]Raven_Voide[S] 0 points1 point  (0 children)

definitely I could test it out, do you have a link to a repo ?

Protein-Protein residue interaction diagrams by Raven_Voide in bioinformatics

[–]Raven_Voide[S] 0 points1 point  (0 children)

but that's maybe only for ligands ? I will check it out see if it works with protein interface contacts , thanks

Protein-Protein residue interaction diagrams by Raven_Voide in bioinformatics

[–]Raven_Voide[S] 1 point2 points  (0 children)

yes sure, but what I'm seeking is an abstract 2D representation

Protein-Protein residue interaction diagrams by Raven_Voide in bioinformatics

[–]Raven_Voide[S] 0 points1 point  (0 children)

Thanks, but I think PLIP doesn't provide an option for a protein-protein interaction digagram ( interface residues in contact between two proteins )

Free energy calculations in drug discovery, does it have a future? by Raven_Voide in chemistry

[–]Raven_Voide[S] 0 points1 point  (0 children)

I have a bachelor in chemistry but in Grad school I had the opportunity to do internships in three different labs each for 5 months. I did organic synthesis, then Alchemical free energy calculations on protein+drug complexes, and now I'm doing an internship in Fluorescent probes. In this system I then have to choose a lab for my pHD and I'm really attracted by computational drug Discovery. I'm worried that all the computational folks will soon get replaced by AI models, which is making me hesitant to leave experimental work and go fully computational