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QM/MM computations reveal details of the acetyl-CoA synthase catalytic center.
Biochim Biophys Acta Gen Subj. 2020 Jul;1864(7):129579. doi: 10.1016/j.bbagen.2020.129579. Epub 2020 Mar 2.
Biochim Biophys Acta Gen Subj. 2020.
PMID: 32135171
Carbon Monoxide Dehydrogenase Reduces Cyanate to Cyanide.
Ciaccafava A, Tombolelli D, Domnik L, Jeoung JH, Dobbek H, Mroginski MA, Zebger I, Hildebrandt P.
Ciaccafava A, et al. Among authors: tombolelli d.
Angew Chem Int Ed Engl. 2017 Jun 19;56(26):7398-7401. doi: 10.1002/anie.201703225. Epub 2017 May 23.
Angew Chem Int Ed Engl. 2017.
PMID: 28544748
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When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase.
Ciaccafava A, Tombolelli D, Domnik L, Fesseler J, Jeoung JH, Dobbek H, Mroginski MA, Zebger I, Hildebrandt P.
Ciaccafava A, et al. Among authors: tombolelli d.
Chem Sci. 2016 May 1;7(5):3162-3171. doi: 10.1039/c5sc04554a. Epub 2016 Jan 27.
Chem Sci. 2016.
PMID: 29997808
Free PMC article.
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Proton Transfer Pathways between Active Sites and Proximal Clusters in the Membrane-Bound [NiFe] Hydrogenase.
Tombolelli D, Mroginski MA.
Tombolelli D, et al.
J Phys Chem B. 2019 Apr 25;123(16):3409-3420. doi: 10.1021/acs.jpcb.9b00617. Epub 2019 Apr 11.
J Phys Chem B. 2019.
PMID: 30931567
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