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Emergence of Function in P450-Proteins: A Combined Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Study of the Reactive Species in the H2O2-Dependent Cytochrome P450SPα and Its Regio- and Enantioselective Hydroxylation of Fatty Acids.
Ramanan R, Dubey KD, Wang B, Mandal D, Shaik S. Ramanan R, et al. Among authors: shaik s. J Am Chem Soc. 2016 Jun 1;138(21):6786-97. doi: 10.1021/jacs.6b01716. Epub 2016 Apr 22. J Am Chem Soc. 2016. PMID: 27059179
A redox-mediated Kemp eliminase.
Li A, Wang B, Ilie A, Dubey KD, Bange G, Korendovych IV, Shaik S, Reetz MT. Li A, et al. Among authors: shaik s. Nat Commun. 2017 Mar 28;8:14876. doi: 10.1038/ncomms14876. Nat Commun. 2017. PMID: 28348375 Free PMC article.
Cytochrome P450-The Wonderful Nanomachine Revealed through Dynamic Simulations of the Catalytic Cycle.
Dubey KD, Shaik S. Dubey KD, et al. Among authors: shaik s. Acc Chem Res. 2019 Feb 19;52(2):389-399. doi: 10.1021/acs.accounts.8b00467. Epub 2019 Jan 11. Acc Chem Res. 2019. PMID: 30633519
The treatment is limited to the catalytic cycle, as aspects of two-state reactivity were reviewed previously (e.g., Shaik , S. ; et al. Chem. Rev. 2005 , 105 , 2279 ). What are the principles that govern the seeming automatic feature? ...
The treatment is limited to the catalytic cycle, as aspects of two-state reactivity were reviewed previously (e.g., Shaik , S. …
589 results