Eduardo Menezes

4 Questions 3 Answers 0 Followers

Questions related from Eduardo Menezes

Docking validation parameter?

i have done several dockings and i have my docking results, and i want to create a validation parameter for my future blind dockings does anyone have any idea how i can use my results for this?

02 November 2021 7,193 4 View

Any computational techniques for optimization or modification of a molecule, a lead compound?

I docked a compound, and it showed good results, but I wanted to make some changes to its structure to make it more powerful, how do i do this?

17 May 2021 8,800 5 View

How to perform the molecular dynamics of the best pose and protein in NAMD / VMD?

Hey guys, I did the docking using the molegro, and now I need to perform the molecular dynamics of my best pose and my protein. I'm using Namd to do this, my question is: first of all do I need...

22 April 2021 997 1 View

Energy calculation with BFEE NAMD in windows 10. Molecular Dynamics

Has anyone here run BFEE NAMD on windows and had success? - If you already did, could you describe the steps please? - I am trying to calculate the energy of the protein-binding complex and I have...

01 January 1970 8,678 2 View