Социология в российском контексте
Published in Zhurnal Sotsiologii i Sotsialnoy Antropologii (The Journal of Sociology and Social Anthropology) • Jan 1, 2005
Authors:
Владимир Вячеславович Козловский
Abstract
The activation barrier for the hydroxylation of camphor by cytochrome P450 was computed using a mixed quantum mechanics/molecular mechanics (QM/MM) model of the full protein-ligand system and a fully QM calculation using a cluster model of the active site at the B3LYP/LACVP*/LACV3P** level of theory...
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