Waseem Ahmad Ansari

4 Questions 172 Answers 0 Followers

Questions related from Waseem Ahmad Ansari

How to investigate the rotational axis of protein?

Hello everyone! I am eager to explore the rotational axes of proteins by visualizing the MD trajectory. I'm interested in discovering effective methods to analyze the motion/axes of amino acids at...

15 June 2025 1,638 0 View

What is the main factor involve in higher binding score performing molecular docking?

A molecule shows the -11.6 kcal/mol and second one -8.0 kcal/mol so why molecule (A) revealed higher binding score. Please explain major factor involve in it.

22 July 2024 1,246 5 View

Can oxygen atom in ligand increase the binding energy?

If a compound has a lot of oxygen moities in ligand, so the docking score will be increase? If it will increase then what is the reason behind it?

17 February 2024 2,261 4 View

How to validate 3D-QSAR hypothesis without experimental IC50 values?

Hello Researchers I'm beginner in 3D-QSAR please enlighten about how to evaluate the 3D-QSAR model. I've read many articles in which mentioned experimental IC50 values then validated. If have no...

27 December 2023 265 2 View