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Page 1
Evolution of Ceftriaxone Resistance of Penicillin-Binding Proteins 2 Revealed by Molecular Modeling.
Int J Mol Sci. 2022 Dec 22;24(1):176. doi: 10.3390/ijms24010176.
Int J Mol Sci. 2022.
PMID: 36613627
Free PMC article.
Interplay between the Enamine and Imine Forms of the Hydrolyzed Imipenem in the Active Sites of Metallo-β-lactamases and in Water Solution.
Krivitskaya AV, Khrenova MG.
Krivitskaya AV, et al.
J Chem Inf Model. 2022 Dec 26;62(24):6519-6529. doi: 10.1021/acs.jcim.2c00539. Epub 2022 Jun 27.
J Chem Inf Model. 2022.
PMID: 35758922
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Boronic Acids as Prospective Inhibitors of Metallo-β-Lactamases: Efficient Chemical Reaction in the Enzymatic Active Site Revealed by Molecular Modeling.
Krivitskaya AV, Khrenova MG.
Krivitskaya AV, et al.
Molecules. 2021 Apr 2;26(7):2026. doi: 10.3390/molecules26072026.
Molecules. 2021.
PMID: 33918209
Free PMC article.
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Two Sides of Quantum-Based Modeling of Enzyme-Catalyzed Reactions: Mechanistic and Electronic Structure Aspects of the Hydrolysis by Glutamate Carboxypeptidase.
Krivitskaya AV, Khrenova MG, Nemukhin AV.
Krivitskaya AV, et al.
Molecules. 2021 Oct 17;26(20):6280. doi: 10.3390/molecules26206280.
Molecules. 2021.
PMID: 34684866
Free PMC article.
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Influence of the Active Site Flexibility on the Efficiency of Substrate Activation in the Active Sites of Bi-Zinc Metallo-β-Lactamases.
Krivitskaya AV, Khrenova MG.
Krivitskaya AV, et al.
Molecules. 2022 Oct 18;27(20):7031. doi: 10.3390/molecules27207031.
Molecules. 2022.
PMID: 36296624
Free PMC article.
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