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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: blackburn gm. 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.
Near attack conformers dominate β-phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate.
Griffin JL, Bowler MW, Baxter NJ, Leigh KN, Dannatt HR, Hounslow AM, Blackburn GM, Webster CE, Cliff MJ, Waltho JP. Griffin JL, et al. Among authors: blackburn gm. Proc Natl Acad Sci U S A. 2012 May 1;109(18):6910-5. doi: 10.1073/pnas.1116855109. Epub 2012 Apr 13. Proc Natl Acad Sci U S A. 2012. PMID: 22505741 Free PMC article.
Chemical polysialylation of human recombinant butyrylcholinesterase delivers a long-acting bioscavenger for nerve agents in vivo.
Ilyushin DG, Smirnov IV, Belogurov AA Jr, Dyachenko IA, Zharmukhamedova TIu, Novozhilova TI, Bychikhin EA, Serebryakova MV, Kharybin ON, Murashev AN, Anikienko KA, Nikolaev EN, Ponomarenko NA, Genkin DD, Blackburn GM, Masson P, Gabibov AG. Ilyushin DG, et al. Among authors: blackburn gm. Proc Natl Acad Sci U S A. 2013 Jan 22;110(4):1243-8. doi: 10.1073/pnas.1211118110. Epub 2013 Jan 7. Proc Natl Acad Sci U S A. 2013. PMID: 23297221 Free PMC article.
A novel expression cassette delivers efficient production of exclusively tetrameric human butyrylcholinesterase with improved pharmacokinetics for protection against organophosphate poisoning.
Terekhov S, Smirnov I, Bobik T, Shamborant O, Zenkova M, Chernolovskaya E, Gladkikh D, Murashev A, Dyachenko I, Palikov V, Palikova Y, Knorre V, Belogurov A Jr, Ponomarenko N, Blackburn GM, Masson P, Gabibov A. Terekhov S, et al. Among authors: blackburn gm. Biochimie. 2015 Nov;118:51-9. doi: 10.1016/j.biochi.2015.07.028. Epub 2015 Aug 1. Biochimie. 2015. PMID: 26239905
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: blackburn gm. Sci Adv. 2016 Oct 19;2(10):e1501695. doi: 10.1126/sciadv.1501695. eCollection 2016 Oct. Sci Adv. 2016. PMID: 27774510 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: blackburn gm. Dokl Biochem Biophys. 2017 Jul;475(1):245-249. doi: 10.1134/S1607672917040019. Epub 2017 Sep 2. Dokl Biochem Biophys. 2017. PMID: 28864894
Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Baxter NJ, Bowler MW, Alizadeh T, Cliff MJ, Hounslow AM, Wu B, Berkowitz DB, Williams NH, Blackburn GM, Waltho JP. Baxter NJ, et al. Among authors: blackburn gm. Proc Natl Acad Sci U S A. 2010 Mar 9;107(10):4555-60. doi: 10.1073/pnas.0910333106. Epub 2010 Feb 17. Proc Natl Acad Sci U S A. 2010. PMID: 20164409 Free PMC article.
118 results