Abstract
New MM2 parameters for the cobalt binding site in cobalt-bleomycin, a potent antitumor antibiotic, are presented. These force constants were successfully used to model crystal structures of two cobalt-bleomycin analogues. Calculations on the bithiazole part of bleomycin show that the trans form is more stable than the cis form. It is also shown that conformational searches are necessary even in small inorganic molecules.
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