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Information × Registration Number 0212U005778, 0111U002530 , R & D reports Title Study of the relationship of structural features of low-molecular weight regulators of the activity of hydrolases to their biological activity popup.stage_title Head Prokopenko Volodymyr V., Registration Date 28-12-2012 Organization Institute of Bioorganic Chemistry and Petrochemistry of National Academy of Sciences of Ukraine popup.description2 It was created a modified version of the popular program package AutoDock 4.2, which is unlike the origi-nal software allows docking of "flexible" inhibitors into the active site of enzymes that have a large cavity. In addi-tion to more relevant to experimental energies and binding mode, the new version of AutoDock requires signifi-cantly less computing power. The program can be used to search for new enzyme inhibitors (virtual screening) and to investigate the mechanism of action of already known inhibitors. Research has shown high selectivity liporetro-D-peptides, containing the fatty acid residue, to thrombin. Interaction of hydrophobic chains with thrombin loop 60 plays a key role in the binding of inhibitors. Product Description popup.authors І.В.Семенюта В.В.Ковалішин В.М.Благодатний В.Ю.Танчук Л.Є.Калашнікова Л.Л.Чарочкіна Л.О.Метелиця О.М.Ляхов О.О.Поярков С.Є.Могилевич Т.М.Кашева popup.nrat_date 2020-04-02 Close