Seketoulie Keretsu

5 Questions 11 Answers 0 Followers

Questions related from Seketoulie Keretsu

Would you cite recent papers related to covid-19 still in preprint servers ?

There are many papers related to Covid-19 on preprint servers. Most of which are not reviewed. This is particularly more so in computational studies such as Virtual screening, docking and...

05 May 2020 5,220 62 View

Would it be possible to perform 3D-QSAR study with inhibitors collected from different experimental studies?

Typically, modelling studies are performed with compounds from a single experiment (most of the time), synthesized and evaluated under a defined experimental condition. However, it's not always...

04 February 2020 6,945 1 View

What is the maximum number of H-bonds a single N or O atom can participate in?

Pymol analysis shows the formation of multiple h-bond with donor nitrogen atom (in figure). Similarly, there have been instances where polar oxygen participates in multiple h-bonds. Kindly explain...

08 January 2019 9,496 4 View

Can 3D-QSAR techniques be applied to series of inhibitors that forms covalent interaction with active site residue?

I have a series of irreversible covalent kinase inhibitors. Data shows the covalent interaction of inhibitor with active site residue play crucial role in activity value. Figure shows the most...

08 March 2018 7,453 1 View

Are there any publicly available scaffold extracting software ?

From an informatics and analysis point, are there tool available that can be used to extract scaffold from drug/compounds databases such as ChEMBL database? The interest is in comparing scaffolds...

01 August 2017 8,375 0 View