The influence of amino acid side chains on water binding to the copper(II) in bis(N,N-dimethyl-L-alpha-isoleucinato)-copper(II): an EPR and molecular mechanics study |
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Authors: | Sabolović Jasmina Noethig-Laslo Vesna |
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Institution: | Institute for Medical Research and Occupational Health, P.O. Box 291, 10001 Zagreb, Croatia. |
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Abstract: | Simulations were done of the electron paramagnetic resonance (EPR) spectra for bis(N,N-dimethyl-L-alpha-isoleucinato)copper(II) dissolved in deuterated methanol as a function of temperature. They indicated different behaviour of the complex below and above 300 degrees K. The effect was examined by the conformational analysis of the copper(II) complex with a new molecular mechanics force field. |
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