Tanuj Sharma

4 Questions 62 Answers 0 Followers

Questions related from Tanuj Sharma

Please assist in solving Molecular dynamic simulation of protein-ligand covalently bound complex using GROMACS?

I have been working on the design of covalent inhibitors, which are covalently bound to the cysteine side chain. it would be really helpful if somebody would guide how to modify the processed...

07 March 2022 6,821 3 View

Why the interaction energy of heavy metals with protein is high?

While working on computational studies of Heavy metal interaction with Protein Receptors using CDOCKER i got very high interaction energies. I repeated the experiment thrice using different...

18 May 2016 4,118 2 View

How can we join two trajectories of GROMACS using VMD?

trajectory file available - .trr file and traj.xtc file of first simulation run and same files of 2nd run

05 June 2015 1,456 4 View

How to overcome gaussian error - Add virtual bond connecting atoms ?

Currently, our team is working on mechanistic studies of two compounds which are acting in presence of a Biocatalyst having a particular residue highly important for carrying out reaction at room...

01 January 1970 8,354 1 View