Can we represent protein sequences at the atomic level, such as carbon, instead of Amino acid to predict protein structure and function

Question

[Naresh]

Hi, Can we represent protein sequences at the atomic level, such as carbon, instead of amino acid to study protein structure and function? if so, How to do it?

Please guide me.

Thanks Naresh

[WouterDeCoster]

I guess there is a link with this question: Is there a way to translate amino acid sequences into atomic sequences?

Answer 1

[agata88]

As far as I know you can predict the active site of protein in atomic level. Whole protein is to big to run calculation on it. You can use Molden and/or PyMol programs to do that.

I was doing calculation of inhibitor bonding to active sites of protein. I used programs I mentioned and also Gammes or Gaussian.

Hope it helps,

Best,

Agata