| A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding SS Terekhov, YA Mokrushina, AS Nazarov, A Zlobin, A Zalevsky, ... Science advances 6 (26), eaaz9861, 2020 | 23 | 2020 |
| Peptogrid—rescoring function for autodock vina to identify new bioactive molecules from short peptide libraries AO Zalevsky, AS Zlobin, VR Gedzun, RV Reshetnikov, ML Lovat, ... Molecules 24 (2), 277, 2019 | 19 | 2019 |
| Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers YA Mokrushina, AV Golovin, IV Smirnov, SD Chatziefthimiou, ... Proceedings of the National Academy of Sciences 117 (37), 22841-22848, 2020 | 14 | 2020 |
| QM/MM description of newly selected catalytic bioscavengers against organophosphorus compounds revealed reactivation stimulus mediated by histidine residue in the acyl-binding loop A Zlobin, Y Mokrushina, S Terekhov, A Zalevsky, T Bobik, A Stepanova, ... Frontiers in Pharmacology 9, 834, 2018 | 12 | 2018 |
| CASBench: a benchmarking set of proteins with annotated catalytic and allosteric sites in their structures A Zlobin, D Suplatov, K Kopylov, V Švedas Acta Naturae (англоязычная версия) 11 (1 (40)), 74-80, 2019 | 10 | 2019 |
| Challenges in protein QM/MM simulations with intra-backbone link atoms A Zlobin, J Belyaeva, A Golovin Journal of Chemical Information and Modeling 63 (2), 546-560, 2023 | 9 | 2023 |
| Between Protein Fold and Nucleophile Identity: Multiscale Modeling of the TEV Protease Enzyme–Substrate Complex A Zlobin, A Golovin ACS omega 7 (44), 40279-40292, 2022 | 9 | 2022 |
| In silico screening and behavioral validation of a novel peptide, LCGA-17, with anxiolytic-like properties AV Malyshev, IA Sukhanova, AS Zlobin, VR Gedzun, VV Pavshintsev, ... Frontiers in Neuroscience, 972, 2021 | 9 | 2021 |
| The preferable binding pose of canonical butyrylcholinesterase substrates is unproductive for echothiophate AS Zlobin, AO Zalevsky, OV Kartseva, AV Golovin, IV Smirnov Acta Naturae (англоязычная версия) 10 (4 (39)), 121-124, 2018 | 8 | 2018 |
| Probing the Suitability of Different Ca2+ Parameters for Long Simulations of Diisopropyl Fluorophosphatase A Zlobin, I Diankin, S Pushkarev, A Golovin Molecules 26 (19), 5839, 2021 | 7 | 2021 |
| Modern non-polarizable force fields diverge in modeling the enzyme–substrate complex of a canonical serine protease J Belyaeva, A Zlobin, V Maslova, A Golovin Physical Chemistry Chemical Physics 25 (8), 6352-6361, 2023 | 4 | 2023 |
| Exploiting Structural Constraints of Proteolytic Catalytic Triads for Fast Supercomputer Scaffold Probing in Enzyme Design Studies A Zlobin, AP Ermidis, V Maslova, J Belyaeva, A Golovin Supercomputing: 7th Russian Supercomputing Days, RuSCDays 2021, Moscow …, 2021 | 4 | 2021 |
| Dynamic interchange between two protonation states is characteristic of active sites of cholinesterases A Zlobin, I Smirnov, A Golovin Protein Science 33 (8), e5100, 2024 | 1 | 2024 |
| The novel peptide LCGM-10 attenuates metabotropic glutamate receptor 5 activity and demonstrates behavioral effects in animal models AV Malyshev, VV Pavshintcev, NA Mitkin, IA Sukhanova, VR Gedzun, ... Frontiers in Behavioral Neuroscience 18, 1333258, 2024 | 1 | 2024 |
| Evolution of catalytic centers of antibodies by virtual screening of broad repertoire of mutants using supercomputer AV Golovin, IV Smirnov, AV Stepanova, AO Zalevskiy, AS Zlobin, ... Doklady Biochemistry and Biophysics 475, 245-249, 2017 | 1 | 2017 |
| Long-Range Electrostatics in Serine Proteases: Machine Learning-Driven Reaction Sampling Yields Insights for Enzyme Design A Zlobin, V Maslova, J Beliaeva, J Meiler, A Golovin Journal of Chemical Information and Modeling, 2025 | | 2025 |
| The role of peptide conformation presented by MHC in the induction of TCR triggering AV Golovin, S Panteleev, AS Zlobin, N Anikeeva, I Smirnov, A Gabibov, ... Biophysical Journal, 2025 | | 2025 |
| Tyrosine phosphatase-inspired redesign of an abzyme bioscavenger A Zlobin, V Maslova, I Smirnov, A Golovin FEBS OPEN BIO 11, 355-355, 2021 | | 2021 |
| Towards application of deep convolutional neural networks to enzyme design A Zlobin, G Andreev, I Smirnov, A Golovin Biocatalysis: Fundamentals and аpplications, 53-53, 2019 | | 2019 |
| Unraveling Na+ dependent thrombin activation with large-scale QM/MM simulations A Zalevsky, A Zlobin, I Smirnov, A Golovin, R Reshetnikov Biocatalysis: Fundamentals and аpplications, 54-54, 2019 | | 2019 |
Andrey Golovin МГУ им. М.В. Ломоносова, Факультет биоинженерии и биоинформатики Geverifieerd e-mailadres voor belozersky.msu.ru
