Wahid Uddin Ahmed

2 Questions 3 Answers 0 Followers

Questions related from Wahid Uddin Ahmed

Is it mandatory to optimize drug molecule before docking?

Is it required to optimize drug molecule before docking. I docked a drug against a receptor without the optimization. It performs pretty well. And the structures are stable and no changes of the...

11 February 2024 2,980 2 View

Why Drug Structure changed automatically after docking in autodock vina using pyrx?

Hi, after docking my drug structure gets changed( a single bond became double bond). does anyone know how to solve this problem. Thanks

04 November 2023 960 4 View