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Information × Registration Number 0211U005646, 0111U004853 , R & D reports Title Molecular mechanisms of substrate specificity in cytochrome P450 mediated reactions. popup.stage_title Head Chashchin Mykola Oleksiyovych, Registration Date 19-12-2011 Organization Institute of Molecular Biology and Genetics of NASU popup.description2 The aim of study was modeling of the spatial structure of membrane-associated full-length human cytochrome P450 2E1 with its subsequent optimization as well as creation of computation library of human cytochrome P450 2E1 substrates. In the course of project the spatial structure of the solvated complex of full-length human cytochrome P450 2E1 with membrane was first developed and optimized with molecular dynamics computer simulation. Computer library of substrates of human cytochrome P450 2E1 was first created, that will be used later for the docking of substrates to the active site of enzyme in order to investigate the mechanisms of its recognition of ligands Product Description popup.authors Заєць Володимир Миколайович Кітам Володимир Олегович Максимчук Оксана Василівна Росохацька Інна Василівна Рущак Володимир Володимирович popup.nrat_date 2020-04-02 Close