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Journal of Biomolecular Structure and Dynamics Volume 37, 2019 - Issue 1
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Research Article

Rational antibiotic design: in silico structural comparison of the functional cavities of penicillin-binding proteins and ß-lactamases

Mame Ndew Mbaye3BIO-BioInfo group, Université Libre de Bruxelles, CP 165/61, 50 Roosevelt Ave, 1050 Brussels, Belgium;Department of Mathematics and Informatics, Cheikh Anta Diop University, BP 5005, Dakar-Fann, Senegal
,
Dimitri Gilis3BIO-BioInfo group, Université Libre de Bruxelles, CP 165/61, 50 Roosevelt Ave, 1050 Brussels, Belgium
&
Marianne Rooman3BIO-BioInfo group, Université Libre de Bruxelles, CP 165/61, 50 Roosevelt Ave, 1050 Brussels, BelgiumCorrespondence[email protected]
Pages 65-74 | Received 30 Oct 2017, Accepted 08 Dec 2017, Published online: 17 Jan 2018

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Md Ataul Islam & Tahir S. Pillay. (2020) Identification of promising anti-DNA gyrase antibacterial compounds using de novo design, molecular docking and molecular dynamics studies. Journal of Biomolecular Structure and Dynamics 38:6, pages 1798-1809.
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Sameer Hassan, Vaishnavi Sudhakar, M. Benita Nancy Mary, Rajeshwari Babu, Mukesh Doble, Maryam Dadar & Luke Elizabeth Hanna. (2020) Computational approach identifies protein off-targets for Isoniazid-NAD adduct: hypothesizing a possible drug resistance mechanism in Mycobacterium tuberculosis. Journal of Biomolecular Structure and Dynamics 38:6, pages 1697-1710.
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Articles from other publishers (3)

Kadja Luana Chagas Monteiro, Osmar Nascimento Silva, Igor José dos Santos Nascimento, Francisco Jaime Bezerra Mendonça Júnior, Pedro Gregório Vieira Aquino, Edeildo Ferreira da Silva-Júnior & Thiago Mendonça de Aquino. (2022) Medicinal Chemistry of Inhibitors Targeting Resistant Bacteria. Current Topics in Medicinal Chemistry 22:24, pages 1983-2028.
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Jesica A. Mendoza, Richard Y. Pineda, Michelle Nguyen, Marisol Tellez & Ahmed M. Awad. (2021) Molecular docking studies, in-silico ADMET predictions and synthesis of novel PEGA-nucleosides as antimicrobial agents targeting class B1 metallo-β-lactamases. In Silico Pharmacology 9:1.
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Annett Mikolasch, Elke Hammer, Sabine Witt & Ulrike Lindequist. (2020) Laccase-catalyzed derivatization of 6-aminopenicillanic, 7-aminocephalosporanic and 7-aminodesacetoxycephalosporanic acid. AMB Express 10:1.
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