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Year Number of Results
2008 1
2009 2
2011 1
2013 1
2015 2
2018 3
2019 1
2020 2
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Computer simulations of the activity of RND efflux pumps.
Vargiu AV, Ramaswamy VK, Malloci G, Malvacio I, Atzori A, Ruggerone P. Vargiu AV, et al. Res Microbiol. 2018 Sep-Oct;169(7-8):384-392. doi: 10.1016/j.resmic.2017.12.001. Epub 2018 Jan 31. Res Microbiol. 2018. PMID: 29407044 Free article. Review.
Water-mediated interactions enable smooth substrate transport in a bacterial efflux pump.
Vargiu AV, Ramaswamy VK, Malvacio I, Malloci G, Kleinekathöfer U, Ruggerone P. Vargiu AV, et al. Biochim Biophys Acta Gen Subj. 2018 Apr;1862(4):836-845. doi: 10.1016/j.bbagen.2018.01.010. Epub 2018 Jan 13. Biochim Biophys Acta Gen Subj. 2018. PMID: 29339082 Free article.
A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter.
Zomot E, Yardeni EH, Vargiu AV, Tam HK, Malloci G, Ramaswamy VK, Perach M, Ruggerone P, Pos KM, Bibi E. Zomot E, et al. Among authors: vargiu av. J Mol Biol. 2018 Apr 27;430(9):1368-1385. doi: 10.1016/j.jmb.2018.02.026. Epub 2018 Mar 9. J Mol Biol. 2018. PMID: 29530612 Free article.
Molecular basis for the different interactions of congeneric substrates with the polyspecific transporter AcrB.
Malvacio I, Buonfiglio R, D'Atanasio N, Serra G, Bosin A, Di Giorgio FP, Ruggerone P, Ombrato R, Vargiu AV. Malvacio I, et al. Among authors: vargiu av. Biochim Biophys Acta Biomembr. 2019 Jul 1;1861(7):1397-1408. doi: 10.1016/j.bbamem.2019.05.004. Epub 2019 May 8. Biochim Biophys Acta Biomembr. 2019. PMID: 31075229 Free article.
A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial Compounds.
Malloci G, Vargiu AV, Serra G, Bosin A, Ruggerone P, Ceccarelli M. Malloci G, et al. Among authors: vargiu av. Molecules. 2015 Aug 3;20(8):13997-4021. doi: 10.3390/molecules200813997. Molecules. 2015. PMID: 26247924 Free PMC article.
The challenge of intracellular antibiotic accumulation, a function of fluoroquinolone influx versus bacterial efflux.
Vergalli J, Atzori A, Pajovic J, Dumont E, Malloci G, Masi M, Vargiu AV, Winterhalter M, Réfrégiers M, Ruggerone P, Pagès JM. Vergalli J, et al. Among authors: vargiu av. Commun Biol. 2020 Apr 28;3(1):198. doi: 10.1038/s42003-020-0929-x. Commun Biol. 2020. PMID: 32346058 Free PMC article.
Molecular Interactions of Carbapenem Antibiotics with the Multidrug Efflux Transporter AcrB of Escherichia coli.
Atzori A, Malloci G, Cardamone F, Bosin A, Vargiu AV, Ruggerone P. Atzori A, et al. Among authors: vargiu av. Int J Mol Sci. 2020 Jan 29;21(3):860. doi: 10.3390/ijms21030860. Int J Mol Sci. 2020. PMID: 32013182 Free PMC article.
Molecular recognition of DNA by ligands: roughness and complexity of the free energy profile.
Zheng W, Vargiu AV, Rohrdanz MA, Carloni P, Clementi C. Zheng W, et al. Among authors: vargiu av. J Chem Phys. 2013 Oct 14;139(14):145102. doi: 10.1063/1.4824106. J Chem Phys. 2013. PMID: 24116648 Free PMC article.
Copper-1,10-phenanthroline complexes binding to DNA: structural predictions from molecular simulations.
Robertazzi A, Vargiu AV, Magistrato A, Ruggerone P, Carloni P, de Hoog P, Reedijk J. Robertazzi A, et al. Among authors: vargiu av. J Phys Chem B. 2009 Aug 6;113(31):10881-90. doi: 10.1021/jp901210g. J Phys Chem B. 2009. PMID: 19719275
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