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Evolution of catalytic centers of antibodies by virtual screening of broad repertoire of mutants using supercomputer.
Golovin AV, Smirnov IV, Stepanova AV, Zalevskiy AO, Zlobin AS, Ponomarenko NA, Belogurov AA, Knorre VD, Hurs EN, Chatziefthimiou SD, Wilmanns M, Blackburn GM, Khomutov RM, Gabibov AG. Golovin AV, et al. Among authors: zlobin as. Dokl Biochem Biophys. 2017 Jul;475(1):245-249. doi: 10.1134/S1607672917040019. Epub 2017 Sep 2. Dokl Biochem Biophys. 2017. PMID: 28864894
QM/MM Description of Newly Selected Catalytic Bioscavengers Against Organophosphorus Compounds Revealed Reactivation Stimulus Mediated by Histidine Residue in the Acyl-Binding Loop.
Zlobin A, Mokrushina Y, Terekhov S, Zalevsky A, Bobik T, Stepanova A, Aliseychik M, Kartseva O, Panteleev S, Golovin A, Belogurov A Jr, Gabibov A, Smirnov I. Zlobin A, et al. Front Pharmacol. 2018 Aug 3;9:834. doi: 10.3389/fphar.2018.00834. eCollection 2018. Front Pharmacol. 2018. PMID: 30123127 Free PMC article.
A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Terekhov SS, Mokrushina YA, Nazarov AS, Zlobin A, Zalevsky A, Bourenkov G, Golovin A, Belogurov A Jr, Osterman IA, Kulikova AA, Mitkevich VA, Lou HJ, Turk BE, Wilmanns M, Smirnov IV, Altman S, Gabibov AG. Terekhov SS, et al. Among authors: zlobin a. Sci Adv. 2020 Jun 24;6(26):eaaz9861. doi: 10.1126/sciadv.aaz9861. eCollection 2020 Jun. Sci Adv. 2020. PMID: 32637600 Free PMC article.
Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Mokrushina YA, Golovin AV, Smirnov IV, Chatziefthimiou SD, Stepanova AV, Bobik TV, Zalevsky AO, Zlobin AS, Konovalov KA, Terekhov SS, Stepanov AV, Pipiya SO, Shamborant OG, Round E, Belogurov AA Jr, Bourenkov G, Makarov AA, Wilmanns M, Xie J, Blackburn GM, Gabibov AG, Lerner RA. Mokrushina YA, et al. Among authors: zlobin as. Proc Natl Acad Sci U S A. 2020 Sep 15;117(37):22841-22848. doi: 10.1073/pnas.2010317117. Epub 2020 Aug 28. Proc Natl Acad Sci U S A. 2020. PMID: 32859757 Free PMC article.
In silico Screening and Behavioral Validation of a Novel Peptide, LCGA-17, With Anxiolytic-Like Properties.
Malyshev AV, Sukhanova IA, Zlobin AS, Gedzun VR, Pavshintsev VV, Vasileva EV, Zalevsky AO, Doronin II, Mitkin NA, Golovin AV, Lovat ML, Kovalev GI, Zolotarev YA, Kuchumov AR, Babkin GA, Luscher B. Malyshev AV, et al. Among authors: zlobin as. Front Neurosci. 2021 Aug 2;15:705590. doi: 10.3389/fnins.2021.705590. eCollection 2021. Front Neurosci. 2021. PMID: 34421525 Free PMC article.
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