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Predicting allostery and microbial drug resistance with molecular simulations.
Curr Opin Struct Biol. 2018 Oct;52:80-86. doi: 10.1016/j.sbi.2018.09.001. Epub 2018 Sep 19.
Curr Opin Struct Biol. 2018.
PMID: 30243041
Free PMC article.
Review.
Predicting allosteric mutants that increase activity of a major antibiotic resistance enzyme.
Latallo MJ, Cortina GA, Faham S, Nakamoto RK, Kasson PM.
Latallo MJ, et al. Among authors: cortina ga.
Chem Sci. 2017 Sep 1;8(9):6484-6492. doi: 10.1039/c7sc02676e. Epub 2017 Jul 19.
Chem Sci. 2017.
PMID: 28989673
Free PMC article.
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Excess positional mutual information predicts both local and allosteric mutations affecting beta lactamase drug resistance.
Cortina GA, Kasson PM.
Cortina GA, et al.
Bioinformatics. 2016 Nov 15;32(22):3420-3427. doi: 10.1093/bioinformatics/btw492. Epub 2016 Jul 27.
Bioinformatics. 2016.
PMID: 27466622
Free PMC article.
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Conformational Intermediate That Controls KPC-2 Catalysis and Beta-Lactam Drug Resistance.
Cortina GA, Hays JM, Kasson PM.
Cortina GA, et al.
ACS Catal. 2018 Apr 6;8(4):2741-2747. doi: 10.1021/acscatal.7b03832. Epub 2018 Feb 21.
ACS Catal. 2018.
PMID: 30637173
Free PMC article.
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