Jonathan T Bvunzawabaya

4 Questions 2 Answers 0 Followers

Questions related from Jonathan T Bvunzawabaya

How to validate a virtual screening protocol using EF and ROC curves?

Hi, colleagues. Can someone assist me on how to validate my docking protocol using EF and ROC curves? I have searched through the literature i am failing to find a step-by-step approach to...

29 November 2022 2,507 2 View

How to use my old Config file in for VS using vina in Pyrx?

Hi guys, iam screening around 1000 compounds in batches using Pyrx. I wanted to know is it possible to in pyrx to load your original grid configuration without manual moving the grid box. Im...

28 June 2021 1,236 1 View

How do filter MOE virtual screening result in order to have a table that contains only best poses for multiple poses of 1000 compounds?

Im using MOE 2019.0102 to carry our virtual screening of alot of compounds. I have ran the docking process and now doing results analysis in MOE data base viewer(MDV). I need your assistance in...

25 June 2020 6,915 0 View

How can virtually screening more than 1000 compounds in sdf using Pyrx virtual screening tool without selecting 1 ligand at a time?

Pyrx is a virtual screening tool freely accessable.

20 May 2020 1,576 4 View