I have done docking and molecular dynamics simulation of two wild-type and mutant enzymes with ligands separately. To revise the article, the Reviewer has left this comment to get the contact maps analysis. How should I do this? Is contact maps analysis for the interaction between enzyme and ligand?

Reviewer :

I recommend the authors to provide the essential dynamics analysis such as Gibbs free energy, contact maps and refer the above mentioned articles for the similar analysis. These analyses provide more insights for structural based studies.

Thank you

More Maryam Mapar's questions See All
Similar questions and discussions