Tehreem Tahir

3 Questions 21 Answers 0 Followers

Questions related from Tehreem Tahir

Docking error of a metal complex with the protein using PyRx?

Hello. I am trying to dock a metal complex with urease protein using PyRx and discovery studio. However, the file conversion from .cdx to .pdb and then to .pdbqt, I see some bonds and rings...

02 July 2024 9,249 3 View

Can autodock vina give more than 10 conformations with minimum binding energies?

I want to increase the number of conformations which is by default 10. I want to get 100 conformations of a single ligand. Is it possible using autodock vina or any other software?

12 April 2024 8,790 2 View

How to dock ZIF-8 (MOF) with drug doxorubicin?

Hello there! I am trying to dock ZIF-8 (MOF) with the drug doxorubicin using PyRx and discovery studio for visualization of results. My queries are: 1. When I convert .cif file to .pdb using...

28 March 2024 2,065 4 View