Dear users, I am working on a protein which is a dimer (in the crystal structure), predicted according top PISA. and some of the homologous proteins are dimers (covalent /non-covalent) some are monomers. There has not been any literature regarding the fact that the functional unit is a dimer, ie the enzyme is not functional when the dimeric interface is disturbed due to mutations. Also the active sites are not shared among the dimeric partners. In this situation is it meningful to do a simulation of monomers alone and try to get some information.
In general is it necessary to simulate only the functional oligomers or monomer also can be done ? Thanking you With Regards M. Kavyashree
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