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Multiscale modelization in a small virus: Mechanism of proton channeling and its role in triggering capsid disassembly.
PLoS Comput Biol. 2018 Apr 16;14(4):e1006082. doi: 10.1371/journal.pcbi.1006082. eCollection 2018 Apr.
PLoS Comput Biol. 2018.
PMID: 29659564
Free PMC article.
Alkalinization of Icosahedral Non-enveloped Viral Capsid Interior Through Proton Channeling.
Branda MM, Guérin DMA.
Branda MM, et al.
Adv Exp Med Biol. 2019;1215:181-199. doi: 10.1007/978-3-030-14741-9_9.
Adv Exp Med Biol. 2019.
PMID: 31317501
Review.
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Dimeric Rhodopsin R135L Mutant-Transducin-like Complex Sheds Light on Retinitis Pigmentosa Misfunctions.
Guérin DMA, Digilio A, Branda MM.
Guérin DMA, et al. Among authors: branda mm.
J Phys Chem B. 2021 Dec 2;125(47):12958-12971. doi: 10.1021/acs.jpcb.1c06348. Epub 2021 Nov 18.
J Phys Chem B. 2021.
PMID: 34793169
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Comparative density functional theory based study of the reactivity of Cu, Ag, and Au nanoparticles and of (111) surfaces toward CO oxidation and NO2 reduction.
Pascucci B, Otero GS, Belelli PG, Illas F, Branda MM.
Pascucci B, et al. Among authors: branda mm.
J Mol Model. 2014 Sep;20(9):2448. doi: 10.1007/s00894-014-2448-5. Epub 2014 Sep 11.
J Mol Model. 2014.
PMID: 25208558
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On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO2(111).
Branda MM, Castellani NJ, Grau-Crespo R, de Leeuw NH, Hernandez NC, Sanz JF, Neyman KM, Illas F.
Branda MM, et al.
J Chem Phys. 2009 Sep 7;131(9):094702. doi: 10.1063/1.3216102.
J Chem Phys. 2009.
PMID: 19739864
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CO, CO2 and H2 adsorption on ZnO, CeO2, and ZnO/CeO2 surfaces: DFT simulations.
Reimers WG, Baltanás MA, Branda MM.
Reimers WG, et al. Among authors: branda mm.
J Mol Model. 2014 Jun;20(6):2270. doi: 10.1007/s00894-014-2270-0. Epub 2014 Jun 7.
J Mol Model. 2014.
PMID: 24903980
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Methanol adsorption on the beta-Ga2O3 surface with oxygen vacancies: theoretical and experimental approach.
Branda MM, Collins SE, Castellani NJ, Baltanas MA, Bonivardi AL.
Branda MM, et al.
J Phys Chem B. 2006 Jun 22;110(24):11847-53. doi: 10.1021/jp060118n.
J Phys Chem B. 2006.
PMID: 16800487
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