Pitchumani Violet Mary C.

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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...

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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...

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How to do covalent docking using autodock?

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