Rahul Narayanan

2 Questions 2 Answers 0 Followers

Questions related from Rahul Narayanan

Absence of metal co-ordination bonds in ligand-receptor complex?

I docked a metal -coordination complex to protein. I further tried to visualize the ligand interactions using discovery studio. Upon selection, I find that the bonds of my ligand co-ordination to...

06 September 2020 9,247 4 View

In molecular docking (autodock4), how to choose the best pose of docked state (from the clusters) for MD simulations?

I got 5 conformations of ligands (from clustering histogram) in docking, which among the 5 should be taken for simulation....For eg; among the 5, the third and fourth poses appear entirely...

03 September 2020 1,294 4 View