Protein ligand Docking and analysing docking interactions using PyRx and Discovery Studio

In this video I have explained how to perform docking using PyRx and then how to analyse the docked interactions using Discovery studio. This is a beginner level video on how to perform docking using a protein and a ligand. If you are interested to know the theory behind docking then watch this video : • Computer aided drug de... and then you can watch this present video so that you can get a better understanding of the concept of docking.
If you are interested to learn more about CADD from its history to present scenario, watch this playlist which will be very helpful for beginners interested in learning CADD : The link to playlist is here : • Computer aided drug de...

[@SwastikUBE]

So helpful...please keep making these vids..

[@pharmazest]

Thank you🙂Sure

[@iqraamin9087]

Hello mam ! I am unable to define ligand in DS for ligand interactions! How can I solve this problem???

[@urazvi1332]

When i am analysing complex in discovery studio its showing molecule is fragmented. Why is it so?

[@pharmazest]

Check the ligand structure. It may be due to your ligand preparation process. Check the pdbqt file of your ligand before docking. You can convert the 2D ligand to 3D by using Avogadro or OpenBarbel software. Modify ligand representation. Experiment with different representations of the ligand molecule. Try alternative file formats or representations, such as SMILES, MOL, or SDF, to see if the error persists. Sometimes, converting the ligand structure to a different format can resolve issues related to fragmentation.