Protein-ligand virtual docking using PyRx | Computational biology | Bioinformatics | Akash Mitra 

Thank you for this video. I wish PyRx could offer students a special subscription rate for the software, similar to what PyMOL did.

Great video! Thank you.

You are a lifesaver bro. Thanks

This was very interesting indeed. I was wondering how do you prepare both your ligand and protein before docking?

Excellent explanation.

It was So Cool bro!!

It was very clear and conceptual

Thanks a lot for the video Akash! Very helpful. Though I've a doubt, when we download the structure of small molecules from PubChem, if there's no 3D conformer then can we dock our protein in 3D form with a 2D structure of our small molecule? Secondly how can I do site specific docking? Would be great if you suggest any video on that.

hey akash, can i use autodock wizard in pyrx?

Don't we need to remove the water molecules like it is done in autodock?

Thanks

Thanks You

Dear , thanks for explaination, but I miss the step of converting pdb to pdbqt (macromolecule).was it done via bable software??

So I was following my lecturer's steps for the PyRx software, and i have encountered errors such as these: Error: list.remove(x): x not in list Error: Can't find Bable atom element for 'h from 4fm9 topo2a DDS I have sit in front of my pc for 6 hours already, and I try to seek help from lecturer, but he kept saying my protein has problem but he won't specify what's the problem. What can i do about this situation?

How to dock peptide prepared t Through avogadro