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Description
In the calculations, total energy was minimized relative to the origin of coordinates: where E tot is the total potential energy of the macromolecule, E str is the bond strain energy, E bend is the valence angle strain energy, E tors is the torsion angle strain energy, E vdw is the Van der Waals interaction energy, and E elec is the electrostatic interaction energy
Very little of Hcy exists in the form of free thiol
Kidney Int., 36: 617-625
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