Amir Zeb

5 Questions 10 Answers 0 Followers

Questions related from Amir Zeb

Is there any web server available for pharmacophore designing from Protein-protein interacting interfaces?

Hello folks, I'm in search to find out a web server that can generate a structure-based pharmacophore from protein-protein interacting hotspots. Obviously, the protein-protein complex will have...

14 August 2018 3,629 4 View

How to elaborate SAVES Server output results?

Hello Folks,I need the basic explanatory document of SAVES server https://services.mbi.ucla.edu/SAVES/ that can explain how the results are calculated?Let me code an example here:The WHATCHEK...

31 May 2017 1,317 0 View

Is there any hard and fast range for NVT and NPT to decide whether our system is equilibrated or not?

Hello, I prepared my protein-ligand complex for MD run, the average value for NVT is 299.99 which looks pretty satisfactory, but for NPT, the average value is 10.01 which is strange to me. I...

16 November 2016 2,270 6 View

What's the basic criteria to select a suitable forcefield for protein-ligand complex MD simulation in gromacs?

Hello, I want to simulate my protein-lignad complex, but there is no forcefield information cited yet for this specific protein. I'm seeking the basic criteria which is taking in consideration to...

02 November 2016 9,276 8 View

How to apply regative lateral pressure to lipid bilayer membrane in Desmond?

I want to apply negative lateral pressure to the popc membrane during the simulation in Desmond

01 January 1970 3,954 1 View