Ahmed H. Korany

3 Questions 5 Answers 0 Followers

Questions related from Ahmed H. Korany

How to increase GPU usage during MD simulation?

The GPU usage percentage of my Nvidia Quadro K3100M does not exceed 10% during running MD simulation of protein of 252 residue length using VMD/NAMD software. Any one can provide advice on how...

09 January 2021 7,747 3 View

Is it possible to measure the active site volume using any of the following softwares (MOE, Chimera, Pymol, YASARA)???

I want to compare the active sites of some protein models in quantitative way (their volume or dimensions), Is this option available in the following softwares (MOE, YASARA, Pymol, Chimera) as I...

04 November 2019 1,892 2 View

Is there any software or server that can be used for quantitative description of similarity between 2 or more active sites?

I have generated 3D homology models for a X-ray resolved 3D protein, then I docked ligand to the active site of both the models and the 3D protein structure. Is there any way to compare the active...

28 October 2019 7,248 8 View