Muhammad Mushtaq

3 Questions 1 Answers 0 Followers

Questions related from Muhammad Mushtaq

How to select top molecules in Large-Scale virtual screening by two docking method?

I am performing large-scale screening of compounds using the docking tools Autodock vina and Glide.Is it a good idea to select 1-2% of top hit molecules from both tools and further analyze those...

25 August 2023 9,250 0 View

I got Fred Docking Score upto -4 in a large-scale screening. Is it acceptable?

Hello We are performing large-screening using different softwares. Taking other parameters into considerations. Is FRED docking score between -4 to -3 acceptable or not?? Any guidance would be...

04 July 2022 7,035 0 View

Gold chemplp fitness score threshold?

How much chemplp fitness score should be considered in protein-ligand virtual screening using GOLD software. I have a library of molecules that are already screened using Autodock vina. Want to...

06 June 2022 8,026 1 View