[BiO BB] Native Conformation vs Minimum Energy

vidya kothekar vidyakothekar at yahoo.com
Fri Jul 14 07:43:49 EDT 2006

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

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 ? 

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