L. Xiaohong
2005
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Journal
Journal of Xinxiang Education College
Abstract
De novo drug design was used to investigate a series of changes of Amidinomycin forming nitric oxide under the action of all kinds of synthases using the software of quantum chemistry HYPERCHEM and the semiempirical method AM1 in body . All the compounds in the reaction mechanism were optimized. The changes of energies, the related bonds and the related net charges of all the compounds in the reaction were studied and the rationality of the reaction mechanism was discussed.