I'd like to simulate the bio-adsorption of heavy metal.
Almost all simulation programs, not only freewares but commercial ones,
can be shown the binding of small molecules (ligand), I think.
But, how about heavy metal rather than ligand?
Can I calculate the binding energy of Metal with biomolecule?
Notice the techniques or the program tools, Anything OK...
linusben at biopia.snu.ac.kr