Rajeev Ranjan Roy

5 Questions 11 Answers 0 Followers

Questions related from Rajeev Ranjan Roy

What is the accurate definition of interactome, can we use the term in context of protein-ligand complex?

Can we use the term in context of a particular ligand interaction with the binding site residues of a particular protein, by generating numerous frames of a stable protein-ligand complex using...

14 April 2016 5,083 1 View

Can we use the potential energy values generated after minimization of small molecules, to compare their stability?

Its well known fact, potential energy generated by molecular minimization usually used to check molecules stability and is the function of torsion energy, bend energy, bond stretch energy,...

20 June 2015 1,778 11 View

What's 'single-trajectory' simulation and how is it different from normal MD simulation?

Which is best for ligand-protein complex, binding affinity calculation?

05 June 2014 1,556 5 View

Are there any bioinformatics tools which can identify the physicochemical properties of binding pocket of different protein?

I want to identify the physicochemical properties of binding pockets of different proteins, as it has reported in some literature that the binding pocket of each protein has different and unique...

25 November 2013 1,488 8 View

Could anyone give a suggestion regarding substitute for MD simulation for binding energy calculation of docked protein-ligand complexes?

I have done the docking by using DOCK6 software and on the basis of good poses and grid score sorted out a good docked ligand conformation. Now I want to calculate the accurate or some what close...

14 November 2013 2,050 3 View