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How to use molecular docking to verify positive selection site

Dear all.

I used PAML to identify four positive selection site and posted this information to a manuscript. A reviewer suggested that I should use some dry or wet experiment method to verify these sites, such as molecular docking. I have none of the experiences to perform molecular docking analyses. So I just want to ask how to do this.

Thank you!

molecular docking positive selection site

1 answer

There are a number of molecular docking applications out there and usually they give good tutorials (including the theory to some extent). For starters, you can check Autodock and follow their tutorials.

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