Aziza Rahman

3 Questions 4 Answers 0 Followers

Questions related from Aziza Rahman

Is docking of metalloenzyme using vina futile?

I have seen many using AutoDock as an open source docking software for docking of ligand to metalloenzyme. Can Vina too be used for docking of a small molecule to a metalloenzyme? If not then why?

15 March 2022 1,326 3 View

How can I use the dlg file obtained from AutoDock in Amber?

After docking of a small ligand to a protein, I am interested in simulating the protein-ligand complex in amber. However, I donot know how to use the information in the dlg file. Any help in this...

25 November 2021 4,695 2 View

Is it necessary to check the protonation states of molecules before docking in a docking study?

I am trying to dock another ligand to a protein-ligand complex in autodock assuming the protein-ligand complex as the receptor. After adding hydrogens to the receptor, when I try to save it in the...

22 November 2021 7,696 5 View