MM CALCULATIONS OF THE METAL-PROTEIN MODEL COMPLEXES Ⅰ.MOLECULAR FORCE FIELD FOR COBALT COMPEXES

摘要

Cobalt-protein complexes play an important role in biochemical processes.The structure of themodel molecule,Co（H2O）3SO4（phen） has been studied by molecular mechanics.The molecular forcefield （MM2） parameters have been developed for the particular class of the complexes.