[BiO BB] Native Conformation vs Minimum Energy

[vidya kothekar]

Although globular proteins are quite sterdy, and their overall shapes remain same, there may be movement of active site residues, and neighbouring helices. Best way is to compare crystal structures of proteins bound with ligands, if available or do molecular dynamics simulation and compute free energy of interaction
V.Kothekar 

Pooja Jain <pjain at xldb.di.fc.ul.pt> wrote: Dear All,


Is it possible that the biological active native state of a protein need not to
be of lowest free energy ? 

-Pooja
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    Dr. Mrs. Vidya Kothekar
  
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