Princy Choudhary

3 Questions 1 Answers 0 Followers

Questions related from Princy Choudhary

How to create index for SASA analysis in GROMACS ?

For SASA analysis of a protein-ligand system, what to select in creating index file, if I am following the code gmx make_ndx -f md_protein.tpr -o polar_non-polar_residues.ndx

23 October 2021 7,388 0 View

Can anyone explain me the significance of the data "Eigenvalues of the covariance matrix" and "Eigenvector index" in MD simulation of a complex ?

If I have these data sets, how must be they plotted to bring out some conclusion?

10 August 2021 1,641 3 View

Getting a positive binding energy in molecular docking should be considered as error or what is its significance ?

I am getting positive binding energy in Autodock. Is it alright?

08 July 2021 7,627 4 View