Pitchumani Violet Mary C.

3 Questions 5 Answers 0 Followers

Questions related from Pitchumani Violet Mary C.

How to plot 2D-PMF for the reaction mechanism?

Hi everyone, Currently, I'm working on enzyme inhibition mechanism using Gaussian 09. I want to plot 2D-PMF for one of my reaction pathways as in the attached file. Can anyone explain in detail...

07 June 2017 1,724 2 View

Is it possible the study antibacterial and antimicrobial activities of some compound through quantum chemical methods?

Hi I need to study the biological activities such as antiviral, antibacterial, antimicrobial for some compounds. Is it possible to study these activities using quantum chemical methods? If it is...

09 November 2016 2,930 5 View

How to do covalent docking using autodock?

Hi Friends I want to dock a ligand which binds covalently to the protein active site (Cysteine). I have used auto dock scripts which were provided in the link...

21 October 2016 9,933 7 View