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Computational modelling of efflux pumps and their inhibitors.
Essays Biochem. 2017 Mar 3;61(1):141-156. doi: 10.1042/EBC20160065. Print 2017 Feb 28.
Essays Biochem. 2017.
PMID: 28258237
Review.
Molecular Modeling of Multidrug Properties of Resistance Nodulation Division (RND) Transporters.
Cacciotto P, Ramaswamy VK, Malloci G, Ruggerone P, Vargiu AV.
Cacciotto P, et al.
Methods Mol Biol. 2018;1700:179-219. doi: 10.1007/978-1-4939-7454-2_11.
Methods Mol Biol. 2018.
PMID: 29177832
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AcrB drug-binding pocket substitution confers clinically relevant resistance and altered substrate specificity.
Blair JM, Bavro VN, Ricci V, Modi N, Cacciotto P, Kleinekathӧfer U, Ruggerone P, Vargiu AV, Baylay AJ, Smith HE, Brandon Y, Galloway D, Piddock LJ.
Blair JM, et al. Among authors: cacciotto p.
Proc Natl Acad Sci U S A. 2015 Mar 17;112(11):3511-6. doi: 10.1073/pnas.1419939112. Epub 2015 Mar 3.
Proc Natl Acad Sci U S A. 2015.
PMID: 25737552
Free PMC article.
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Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA.
Cacciotto P, Basciu A, Oliva F, Malloci G, Zacharias M, Ruggerone P, Vargiu AV.
Cacciotto P, et al.
Comput Struct Biotechnol J. 2021 Dec 3;20:252-260. doi: 10.1016/j.csbj.2021.11.042. eCollection 2022.
Comput Struct Biotechnol J. 2021.
PMID: 35024097
Free PMC article.
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