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Atomistic insights into the inhibition of cysteine proteases: First QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitors

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Thiel,  W.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Mladenovic, M., Junold, K., Fink, R. F., Thiel, W., Schirmeister, T., & Engels, B. (2008). Atomistic insights into the inhibition of cysteine proteases: First QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitors. Journal of Physical Chemistry B, 112, 5458-5469. doi:10.1021/jp711287c.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-9043-2
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