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Finding reaction paths using the potential energy as reaction coordinate.
J Chem Phys. 2008 Mar 14;128(10):104102. doi: 10.1063/1.2834930.
J Chem Phys. 2008.
PMID: 18345872
Implementation of an algorithm based on the Runge-Kutta-Fehlberg technique and the potential energy as a reaction coordinate to locate intrinsic reaction paths.
Aguilar-Mogas A, Giménez X, Bofill JM.
Aguilar-Mogas A, et al.
J Comput Chem. 2010 Oct;31(13):2510-25. doi: 10.1002/jcc.21539.
J Comput Chem. 2010.
PMID: 20652993
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iMet: A Network-Based Computational Tool To Assist in the Annotation of Metabolites from Tandem Mass Spectra.
Aguilar-Mogas A, Sales-Pardo M, Navarro M, Guimerà R, Yanes O.
Aguilar-Mogas A, et al.
Anal Chem. 2017 Mar 21;89(6):3474-3482. doi: 10.1021/acs.analchem.6b04512. Epub 2017 Mar 3.
Anal Chem. 2017.
PMID: 28221024
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A comprehensive study on different modelling approaches to predict platelet deposition rates in a perfusion chamber.
Pallarès J, Senan O, Guimerà R, Vernet A, Aguilar-Mogas A, Vilahur G, Badimon L, Sales-Pardo M, Cito S.
Pallarès J, et al. Among authors: aguilar mogas a.
Sci Rep. 2015 Sep 22;5:13606. doi: 10.1038/srep13606.
Sci Rep. 2015.
PMID: 26391513
Free PMC article.
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A Bayesian machine scientist to aid in the solution of challenging scientific problems.
Guimerà R, Reichardt I, Aguilar-Mogas A, Massucci FA, Miranda M, Pallarès J, Sales-Pardo M.
Guimerà R, et al. Among authors: aguilar mogas a.
Sci Adv. 2020 Jan 31;6(5):eaav6971. doi: 10.1126/sciadv.aav6971. eCollection 2020 Jan.
Sci Adv. 2020.
PMID: 32064326
Free PMC article.
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CliqueMS: a computational tool for annotating in-source metabolite ions from LC-MS untargeted metabolomics data based on a coelution similarity network.
Senan O, Aguilar-Mogas A, Navarro M, Capellades J, Noon L, Burks D, Yanes O, Guimerà R, Sales-Pardo M.
Senan O, et al. Among authors: aguilar mogas a.
Bioinformatics. 2019 Oct 15;35(20):4089-4097. doi: 10.1093/bioinformatics/btz207.
Bioinformatics. 2019.
PMID: 30903689
Free PMC article.
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Remission of obesity and insulin resistance is not sufficient to restore mitochondrial homeostasis in visceral adipose tissue.
Gonzalez-Franquesa A, Gama-Perez P, Kulis M, Szczepanowska K, Dahdah N, Moreno-Gomez S, Latorre-Pellicer A, Fernández-Ruiz R, Aguilar-Mogas A, Hoffman A, Monelli E, Samino S, Miró-Blanch J, Oemer G, Duran X, Sanchez-Rebordelo E, Schneeberger M, Obach M, Montane J, Castellano G, Chapaprieta V, Sun W, Navarro L, Prieto I, Castaño C, Novials A, Gomis R, Monsalve M, Claret M, Graupera M, Soria G, Wolfrum C, Vendrell J, Fernández-Veledo S, Enríquez JA, Carracedo A, Perales JC, Nogueiras R, Herrero L, Trifunovic A, Keller MA, Yanes O, Sales-Pardo M, Guimerà R, Blüher M, Martín-Subero JI, Garcia-Roves PM.
Gonzalez-Franquesa A, et al. Among authors: aguilar mogas a.
Redox Biol. 2022 Aug;54:102353. doi: 10.1016/j.redox.2022.102353. Epub 2022 Jun 24.
Redox Biol. 2022.
PMID: 35777200
Free PMC article.
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