C-H bond activation in Ribonucleotide reductases

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The C-H bond activation process in ribonucleotide reductases will be studied using state of the art ab initio methods. The enzyme will be described as a set of free floating or partially restricted amino acid side chains interacting with model substrates. Once an arrangement and a selection of side chains has been found, which is in line with experimental observation, this array of functional groups can be used to study the chemistry of known reductase inhibitors and aid the design of new compounds with inhibitory activity.