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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

, , , , , и . The Journal of Physical Chemistry B, 112 (17): 5458--5469 (мая 2008)
DOI: 10.1021/jp711287c

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Reinhold Fink

Reinhold Fink

Reinhold Fink

Reinhold Fink

Martin Fink

Bewertung potentieller Kultivierungsalternativen zur Herstellung von Saccaromyces boulardi für probiotische Lebensmitteladditive. Uni Bonn, (2009)
 

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Origin of the Reactivity Differences of Substituted Aziridines: CN vs CC Bond Breakages, , , , и . The Journal of Organic Chemistry, 74 (15): 5244--5249 (августа 2009)Atomistic Insights into the Inhibition of Cysteine Proteases: First QM/MM Calculations Clarifying the Stereoselectivity of Epoxide-Based Inhibitors, , , , , и . The Journal of Physical Chemistry B, 112 (37): 11798--11808 (сентября 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, , , , , и . The Journal of Physical Chemistry B, 112 (17): 5458--5469 (мая 2008)Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates, , , , , , , , , и . The Journal of Physical Chemistry Letters, 4 (5): 792--796 (февраля 2013)Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110), , , , , , и . Journal of Computational Chemistry, 39 (14): 844--852 (февраля 2018)Charge carrier mobilities in organic semiconductor crystals based on the spectral overlap., , , и . J. Comput. Chem., 37 (23): 2146-2156 (2016)Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates., , , , , и . J. Comput. Chem., 32 (9): 1971-1981 (2011)A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregates., , , , , и . J. Comput. Chem., 39 (24): 1979-1989 (2018)Assessment of quantum chemical methods and basis sets for excitation energy transfer, , , и . Chemical Physics, 346 (1-3): 275--285 (мая 2008)Isomerization and fragmentation pathways of 1, 2-azaborine., , и . J. Comput. Chem., 37 (1): 110-116 (2016)