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Albumin (BSA) adsorption onto graphite stepped surfaces.
J Chem Phys. 2017 Jun 7;146(21):214704. doi: 10.1063/1.4984037.
J Chem Phys. 2017.
PMID: 28595417
Free PMC article.
Assessing the Accuracy of Different Solvation Models To Describe Protein Adsorption.
Ortega M, Vilhena JG, Rubio-Pereda P, Serena PA, Pérez R.
Ortega M, et al. Among authors: rubio pereda p.
J Chem Theory Comput. 2019 Apr 9;15(4):2548-2560. doi: 10.1021/acs.jctc.8b01060. Epub 2019 Mar 13.
J Chem Theory Comput. 2019.
PMID: 30822382
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Albumin (BSA) Adsorption over Graphene in Aqueous Environment: Influence of Orientation, Adsorption Protocol, and Solvent Treatment.
Vilhena JG, Rubio-Pereda P, Vellosillo P, Serena PA, Pérez R.
Vilhena JG, et al. Among authors: rubio pereda p.
Langmuir. 2016 Feb 23;32(7):1742-55. doi: 10.1021/acs.langmuir.5b03170. Epub 2016 Feb 9.
Langmuir. 2016.
PMID: 26799950
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Density functional theory study of the organic functionalization of hydrogenated silicene.
Rubio-Pereda P, Takeuchi N.
Rubio-Pereda P, et al.
J Chem Phys. 2013 May 21;138(19):194702. doi: 10.1063/1.4804545.
J Chem Phys. 2013.
PMID: 23697425
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Van der Waals molecular interactions in the organic functionalization of graphane, silicane, and germanane with alkene and alkyne molecules: a DFT-D2 study.
Rubio-Pereda P, Takeuchi N.
Rubio-Pereda P, et al.
J Mol Model. 2016 Aug;22(8):175. doi: 10.1007/s00894-016-3048-3. Epub 2016 Jul 6.
J Mol Model. 2016.
PMID: 27383611
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Reactivity of phosphorene with a 3d element trioxide (CrO3) considering van der Waals molecular interactions: a DFT-D2 study.
Rubio-Pereda P, Cocoletzi GH.
Rubio-Pereda P, et al.
J Mol Model. 2017 Feb;23(2):49. doi: 10.1007/s00894-017-3225-z. Epub 2017 Feb 4.
J Mol Model. 2017.
PMID: 28161777
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