How can I change of protein's primary structure by molecular dynamic simulation?

10 August 2014 1 6K Report

I work on the interaction of CNT and proteins. The results show that the tertiary and secondary structure of proteins are changed (effected by CNT). VMD sequence viewer shows that the primary structure of the protein (that absorbed on the surface of CNT) has not any changes. My question is: Can MD simulation show the changes of protein's primary structure, or is MD not able to investigate the changes of primary structure, generally?

Jamoliddin Razzokov

HI Hamid,

The Pymol package is also capable to mutate protein residue. It is possible to see changes running MD simulation after the mutation of residue.

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