Ala scanning is easier in principle since you are removing a group. You
make the assumption that the structure does not change, but with a Cys or
Ser there are more choices than just removing the atoms. where does the
side chain go? is there space, or do other side chains need to move? what
rotamers would it adopt? These influence the results.
On Wed, Apr 25, 2012 at 11:06 AM, Hector A. Baldoni <hbaldoni.unsl.edu.ar>wrote:
> Dear amber users;
>
> I want to know your opinions about the possibility and if its conceptually
> right to apply the computational alanine scanning formalism to make
> computational cysteine or serine scanning.
>
> Thank you very much.
> Hector A. Baldoni
>
> ---------------------------------
> Dr. Hector A. Baldoni
> Area de Quimica General e Inorganica
> Universidad Nacional de San Luis
> Chacabuco 917 (D5700BWS)
> San Luis - Argentina
> hbaldoni at unsl dot edu dot ar
> Tel.:+54-(0)2652-423789 ext. 157
> ----------------------------------
>
>
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Received on Wed Apr 25 2012 - 08:30:04 PDT
