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1.
Interplay between the Enamine and Imine Forms of the Hydrolyzed Imipenem in the Active Sites of Metallo-ß-lactamases and in Water Solution.
J Chem Inf Model
; 62(24): 6519-6529, 2022 12 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-35758922
2.
Evolution of Ceftriaxone Resistance of Penicillin-Binding Proteins 2 Revealed by Molecular Modeling.
Int J Mol Sci
; 24(1)2022 Dec 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-36613627
3.
Influence of the Active Site Flexibility on the Efficiency of Substrate Activation in the Active Sites of Bi-Zinc Metallo-ß-Lactamases.
Molecules
; 27(20)2022 Oct 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-36296624
4.
Boronic Acids as Prospective Inhibitors of Metallo-ß-Lactamases: Efficient Chemical Reaction in the Enzymatic Active Site Revealed by Molecular Modeling.
Molecules
; 26(7)2021 Apr 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-33918209
5.
Two Sides of Quantum-Based Modeling of Enzyme-Catalyzed Reactions: Mechanistic and Electronic Structure Aspects of the Hydrolysis by Glutamate Carboxypeptidase.
Molecules
; 26(20)2021 Oct 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-34684866
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