Protein - small molecule analysis

Question

[roniozagam94]

Hello there, im trying to learn more about a small molecule that I own - the interactions between the molecule and the protein itself which the molecule should target. Now on the bioinformatic path, which analysis can I use in order to gather more information about the interaction between them?

[dthorbur]

It's hard to provide advice without knowing more about what you have tried, your level of knowledge, what data formats you are working with, more specifically what you want to get out of this, etc... But in lieu of those, here is a recent review about ML protein-ligand scoring which has a lot of detail about recent tools that may fit your needs.