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Molecular Mechanism of Labelling Functional Cysteines by Heterocyclic Thiones.
Chemphyschem. 2024 Jan 2;25(1):e202300596. doi: 10.1002/cphc.202300596. Epub 2023 Nov 14.
Chemphyschem. 2024.
PMID: 37888491
Catalytic Mechanism and Covalent Inhibition of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA): Implications to the Design of Novel Antibacterials.
Mihalovits LM, Ferenczy GG, Keserű GM.
Mihalovits LM, et al.
J Chem Inf Model. 2019 Dec 23;59(12):5161-5173. doi: 10.1021/acs.jcim.9b00691. Epub 2019 Nov 26.
J Chem Inf Model. 2019.
PMID: 31715096
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Affinity and Selectivity Assessment of Covalent Inhibitors by Free Energy Calculations.
Mihalovits LM, Ferenczy GG, Keserű GM.
Mihalovits LM, et al.
J Chem Inf Model. 2020 Dec 28;60(12):6579-6594. doi: 10.1021/acs.jcim.0c00834. Epub 2020 Dec 9.
J Chem Inf Model. 2020.
PMID: 33295760
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Mechanistic and thermodynamic characterization of oxathiazolones as potent and selective covalent immunoproteasome inhibitors.
Mihalovits LM, Ferenczy GG, Keserű GM.
Mihalovits LM, et al.
Comput Struct Biotechnol J. 2021 Aug 9;19:4486-4496. doi: 10.1016/j.csbj.2021.08.008. eCollection 2021.
Comput Struct Biotechnol J. 2021.
PMID: 34471494
Free PMC article.
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Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices.
Rácz A, Mihalovits LM, Bajusz D, Héberger K, Miranda-Quintana RA.
Rácz A, et al. Among authors: mihalovits lm.
J Chem Inf Model. 2022 Jul 25;62(14):3415-3425. doi: 10.1021/acs.jcim.2c00433. Epub 2022 Jul 14.
J Chem Inf Model. 2022.
PMID: 35834424
Free PMC article.
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