ADL: Autodock vina cation-pi interaction

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ADL: Autodock vina cation-pi interaction

rama david
 Dear all,
     I am really interested to know that does vina software take into
account of cation-pi interaction while doing docking ( like hydrophobic and
ionic interaction) ? If yes what is criteria for it ?

Waiting for reply
Thank you

Yours sinceely
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Re: ADL: Autodock vina cation-pi interaction

Diogo Martins
Hello,

It doesn't take charges into account. However, cation-pi interactions may
or may not be indirectly encoded in the gauss1 and gauss2 terms.

Best,

On Nov 4, 2017 9:32 AM, "rama david" <[hidden email]> wrote:

>  Dear all,
>      I am really interested to know that does vina software take into
> account of cation-pi interaction while doing docking ( like hydrophobic and
> ionic interaction) ? If yes what is criteria for it ?
>
> Waiting for reply
> Thank you
>
> Yours sinceely
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>
________________________________________________
--- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---