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A community effort in SARS-CoV-2 drug discovery.
Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14.
Mol Inform. 2024.
PMID: 37833243
Free article.
Derivation and reinterpretation of the Fermi-Amaldi functional.
Bosko IP, Staroverov VN.
Bosko IP, et al.
J Chem Phys. 2023 Oct 7;159(13):131101. doi: 10.1063/5.0166358.
J Chem Phys. 2023.
PMID: 37800642
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In silico design and computational evaluation of novel 2-arylaminopyrimidine-based compounds as potential multi-targeted protein kinase inhibitors: application for the native and mutant (T315I) Bcr-Abl tyrosine kinase.
Koroleva EV, Kornoushenko YV, Karpenko AD, Bosko IP, Siniutsich JV, Ignatovich ZV, Andrianov AM.
Koroleva EV, et al. Among authors: bosko ip.
J Biomol Struct Dyn. 2023 Jun;41(9):4065-4080. doi: 10.1080/07391102.2022.2062784. Epub 2022 Apr 26.
J Biomol Struct Dyn. 2023.
PMID: 35470777
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Application of deep learning and molecular modeling to identify small drug-like compounds as potential HIV-1 entry inhibitors.
Andrianov AM, Nikolaev GI, Shuldov NA, Bosko IP, Anischenko AI, Tuzikov AV.
Andrianov AM, et al. Among authors: bosko ip.
J Biomol Struct Dyn. 2022 Oct;40(16):7555-7573. doi: 10.1080/07391102.2021.1905559. Epub 2021 Apr 15.
J Biomol Struct Dyn. 2022.
PMID: 33855929
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Metabolomic profiling of three Araucaria species, and their possible potential role against COVID-19.
El-Hawary SS, Rabeh MA, Raey MAE, El-Kadder EMA, Sobeh M, Abdelmohsen UR, Albohy A, Andrianov AM, Bosko IP, Al-Sanea MM, El-Kolobby DG.
El-Hawary SS, et al. Among authors: bosko ip.
J Biomol Struct Dyn. 2022 Sep;40(14):6426-6438. doi: 10.1080/07391102.2021.1885494. Epub 2021 Feb 18.
J Biomol Struct Dyn. 2022.
PMID: 33596787
Free PMC article.
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Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease.
Andrianov AM, Kornoushenko YV, Karpenko AD, Bosko IP, Tuzikov AV.
Andrianov AM, et al. Among authors: bosko ip.
J Biomol Struct Dyn. 2021 Sep;39(15):5779-5791. doi: 10.1080/07391102.2020.1792989. Epub 2020 Jul 14.
J Biomol Struct Dyn. 2021.
PMID: 32662333
Free PMC article.
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