ADL: cation-pi interaction on vina

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ADL: cation-pi interaction on vina

rama david
Hi Friends,
      I m new to Autodock vina. I really interested to know that does
Autodock-vina measure cation-pi interaction in docking.
because in my docking study cation-pi interaction are very important. I had
dock the natural ligand but it is not getting its natural
interaction pose. I repeat it at least 5 times. I want to make derivative
of natural ligand. cation-pi interaction is crucial for its binding.
     I will be thankful to any suggestions and comments.

Sorry for repeating question because i didnt understand answer that was
previously given.

Thank you



With best regards

Yours sincerely.
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Re: ADL: cation-pi interaction on vina

HOUSTON Douglas
Hi Rama,


No I don't believe Vina scores interactions with this level of detail - in fact, charges are not considered at all.


Have you tried to see if you can get a better result with Autodock 4?


Cheers,

Doug

________________________________
From: [hidden email] <[hidden email]> on behalf of rama david <[hidden email]>
Sent: 08 November 2017 16:08
To: [hidden email]
Subject: ADL: cation-pi interaction on vina

Hi Friends,
      I m new to Autodock vina. I really interested to know that does
Autodock-vina measure cation-pi interaction in docking.
because in my docking study cation-pi interaction are very important. I had
dock the natural ligand but it is not getting its natural
interaction pose. I repeat it at least 5 times. I want to make derivative
of natural ligand. cation-pi interaction is crucial for its binding.
     I will be thankful to any suggestions and comments.

Sorry for repeating question because i didnt understand answer that was
previously given.

Thank you



With best regards

Yours sincerely.
________________________________________________
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