I think Discovery Studio is one of the best software for docking and drug design. but you have to buy and register. I have used this software for docking. from Online you may find AUTO DOCK for free. This is old software but should be useful also.

Thank you, all

You can use Autodock or Vina, it's commonly used as free software for drug design.

Or you can use PyRx-Virtual Screening Tools. Autodock and Vina are integrated in PyRx, so you can run at once. For interaction visualization between protein and ligand, you can use LigPlot.

you can try autodock software for evaluation of ligand protein intractions.

For protein ligand docking I recommend Molegro : http://www.molegro.com/mvd-product.php, it is not free, but very simple to use even without docking experience. It gives very reliable results and visualization of docking results is done in the same program very easily.

Hello.

Try LIGPLOT for ligand-protein and protein-protein interactions. Gives hydrogen-bond and non-bonded interactions.

Ricardo

Hello

CASTp, Autodock vina, Swissmodel, Chimera, Qsite and BIOVIA Discovery Studio.

Check in these links. It might help you.

https://www.click2drug.org/

Good Luck.

Autodock

Autodock vina is freely available one of the best software for drug design

Try this site gives a list of a variety. you have to sign up for a trial and you can access a lot of tools for any drug specificity tool you like.

https://omictools.com/drug-discovery-category

You can try Cresset

You can try AutoDock or AutoDock Vina.

Macromodel

You can use Maestro (Schrodinger) or Flare (Cresset)