Kapil Mehta

5 Questions 18 Answers 0 Followers

Questions related from Kapil Mehta

How to do metal docking using Autodock vina?

Good Afternoon researchers, Hello, I am working on a protein, I need to know where the metal (Cu) will bind to it, after that to the formed protein-metal complex , I need to do ligand docking to...

09 September 2016 10,302 2 View

Configuration to buy High class PC for simulation work?

Good Afternoon!! Actually, we need to buy a system to perform biological simulation work, so can anyone please give the configuration for the system. Our budget lies till 2.5 lacs.

09 September 2016 2,758 7 View

About Grid Specification on Autodock Vina?

Good Afternoon !! I am using Autodock Vina for protein-ligand study.I specified certain grid option and did the docking. My concern is, in the output ligand file, there is ligand dimension which...

08 August 2016 3,089 8 View

Criteria for choosing best docked pose and its validation?

Good Morning I did protein-ligand docking using autodock vina. So on what criteria i have to select the best pose. WKT the lower the binding energy the more stable the complex, So my doubt is when...

08 August 2016 5,604 5 View

Minimum energy associated with ligand during docking?

i want to do protein-ligand docking, i got my ligand from pubchem and calculated its energy using avogadro(435.61 kj/mol) and using prodrg i did ligand minimization and found its energy from...

07 July 2016 7,443 5 View