engleski

The influence of amino acid side chains on water binding to the copper(II) in bis(N, N-dimethyl-L-a- isoleucinato)-copper(II): an EPR and molecular mechanics study

Simulations were done of the electron paramagnetic resonance (EPR) spectra for bis(N, N-dimethyl-L-a-isoleucinato)copper(II) dissolved in deuterated methanol as a function of a temperature. They indicated different behaviour of the complex below and above 300 K. The effect was examined by the conformational analysis of the copper(II) complex with a new molecular mechanics force field.

WP-WIN Simfonia Program; Force Field; Amino Acidates

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