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Molecular choreography: Unveiling the dynamic landscape of type IIA DNA topoisomerases before T-segment passage through all-atom simulations.
Int J Biol Macromol. 2024 May 5:131991. doi: 10.1016/j.ijbiomac.2024.131991. Online ahead of print.
Int J Biol Macromol. 2024.
PMID: 38714283
Free article.
Unveiling the interdomain dynamics of type II DNA topoisomerase through all-atom simulations: Implications for understanding its catalytic cycle.
Pavlin M, Herlah B, Valjavec K, Perdih A.
Pavlin M, et al. Among authors: herlah b.
Comput Struct Biotechnol J. 2023 Jul 22;21:3746-3759. doi: 10.1016/j.csbj.2023.07.019. eCollection 2023.
Comput Struct Biotechnol J. 2023.
PMID: 37602233
Free PMC article.
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Phenotypic Discovery of Thiocarbohydrazone with Anticancer Properties and Catalytic Inhibition of Human DNA Topoisomerase IIα.
Cvijetić IN, Herlah B, Marinković A, Perdih A, Bjelogrlić SK.
Cvijetić IN, et al. Among authors: herlah b.
Pharmaceuticals (Basel). 2023 Feb 23;16(3):341. doi: 10.3390/ph16030341.
Pharmaceuticals (Basel). 2023.
PMID: 36986441
Free PMC article.
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Design, Synthesis and Evaluation of Fused Bicyclo[2.2.2]octene as a Potential Core Scaffold for the Non-Covalent Inhibitors of SARS-CoV-2 3CLpro Main Protease.
Herlah B, Hoivik A, Jamšek L, Valjavec K, Yamamoto N, Hoshino T, Kranjc K, Perdih A.
Herlah B, et al.
Pharmaceuticals (Basel). 2022 Apr 27;15(5):539. doi: 10.3390/ph15050539.
Pharmaceuticals (Basel). 2022.
PMID: 35631364
Free PMC article.
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Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα.
Janežič M, Valjavec K, Loboda KB, Herlah B, Ogris I, Kozorog M, Podobnik M, Grdadolnik SG, Wolber G, Perdih A.
Janežič M, et al. Among authors: herlah b.
Int J Mol Sci. 2021 Dec 15;22(24):13474. doi: 10.3390/ijms222413474.
Int J Mol Sci. 2021.
PMID: 34948269
Free PMC article.
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Evaluation of Firefly and Renilla Luciferase Inhibition in Reporter-Gene Assays: A Case of Isoflavonoids.
Kenda M, Vegelj J, Herlah B, Perdih A, Mladěnka P, Sollner Dolenc M.
Kenda M, et al. Among authors: herlah b.
Int J Mol Sci. 2021 Jun 28;22(13):6927. doi: 10.3390/ijms22136927.
Int J Mol Sci. 2021.
PMID: 34203212
Free PMC article.
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