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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: chatziefthimiou sd. 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.
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: chatziefthimiou sd. Dokl Biochem Biophys. 2017 Jul;475(1):245-249. doi: 10.1134/S1607672917040019. Epub 2017 Sep 2. Dokl Biochem Biophys. 2017. PMID: 28864894
Robotic QM/MM-driven maturation of antibody combining sites.
Smirnov IV, Golovin AV, Chatziefthimiou SD, Stepanova AV, Peng Y, Zolotareva OI, Belogurov AA Jr, Kurkova IN, Ponomarenko NA, Wilmanns M, Blackburn GM, Gabibov AG, Lerner RA. Smirnov IV, et al. Among authors: chatziefthimiou sd. Sci Adv. 2016 Oct 19;2(10):e1501695. doi: 10.1126/sciadv.1501695. eCollection 2016 Oct. Sci Adv. 2016. PMID: 27774510 Free PMC article.
Role of κ→λ light-chain constant-domain switch in the structure and functionality of A17 reactibody.
Ponomarenko N, Chatziefthimiou SD, Kurkova I, Mokrushina Y, Mokrushina Y, Stepanova A, Smirnov I, Avakyan M, Bobik T, Mamedov A, Mitkevich V, Belogurov A Jr, Fedorova OS, Dubina M, Golovin A, Lamzin V, Friboulet A, Makarov AA, Wilmanns M, Gabibov A. Ponomarenko N, et al. Among authors: chatziefthimiou sd. Acta Crystallogr D Biol Crystallogr. 2014 Mar;70(Pt 3):708-19. doi: 10.1107/S1399004713032446. Epub 2014 Feb 15. Acta Crystallogr D Biol Crystallogr. 2014. PMID: 24598740 Free PMC article.
Molecular recognition of N-acetyltryptophan enantiomers by β-cyclodextrin.
Chatziefthimiou SD, Inclán M, Giastas P, Papakyriakou A, Yannakopoulou K, Mavridis IM. Chatziefthimiou SD, et al. Beilstein J Org Chem. 2017 Aug 9;13:1572-1582. doi: 10.3762/bjoc.13.157. eCollection 2017. Beilstein J Org Chem. 2017. PMID: 28904606 Free PMC article.
14 results