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Antoni Aguilar-Mogas
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A Bayesian machine scientist to aid in the solution of challenging scientific problems
R Guimerà, I Reichardt, A Aguilar-Mogas, FA Massucci, M Miranda, ...
Science advances 6 (5), eaav6971, 2020
1052020
CliqueMS: a computational tool for annotating in-source metabolite ions from LC-MS untargeted metabolomics data based on a coelution similarity network
O Senan, A Aguilar-Mogas, M Navarro, J Capellades, L Noon, D Burks, ...
Bioinformatics 35 (20), 4089-4097, 2019
712019
iMet: A network-based computational tool to assist in the annotation of metabolites from tandem mass spectra
A Aguilar-Mogas, M Sales-Pardo, M Navarro, R Guimera, O Yanes
Analytical Chemistry 89 (6), 3474-3482, 2017
522017
The reaction between HO and (H2O) n (n = 1, 3) clusters: reaction mechanisms and tunneling effects
J Gonzalez, M Caballero, A Aguilar-Mogas, M Torrent-Sucarrat, ...
Theoretical Chemistry Accounts 128, 579-592, 2011
392011
Finding reaction paths using the potential energy as reaction coordinate
A Aguilar-Mogas, X Giménez, JM Bofill
The Journal of chemical physics 128 (10), 2008
262008
Exploration of cyclopropyl radical ring opening to allyl radical by Newton trajectories: importance of valley-ridge inflection points to understand the topography
W Quapp, JM Bofill, A Aguilar-Mogas
Theoretical Chemistry Accounts 129, 803-821, 2011
252011
Applications of analytic and geometry concepts of the theory of calculus of variations to the intrinsic reaction coordinate model
A Aguilar-Mogas, R Crehuet, X Giménez, JM Bofill
Molecular Physics 105 (19-22), 2475-2492, 2007
202007
Implementation of an algorithm based on the Runge‐Kutta‐Fehlberg technique and the potential energy as a reaction coordinate to locate intrinsic reaction paths
A Aguilar‐Mogas, X Giménez, JM Bofill
Journal of computational chemistry 31 (13), 2510-2525, 2010
182010
Remission of obesity and insulin resistance is not sufficient to restore mitochondrial homeostasis in visceral adipose tissue
A Gonzalez-Franquesa, P Gama-Perez, M Kulis, K Szczepanowska, ...
Redox Biology 54, 102353, 2022
122022
On the implementation of the Runge–Kutta–Fehlberg algorithm to integrate intrinsic reaction coordinate paths
A Aguilar-Mogas, X Giménez, JM Bofill
Chemical physics letters 432 (1-3), 375-382, 2006
122006
iMet: A computational tool for structural annotation of unknown metabolites from tandem mass spectra
A Aguilar-Mogas, M Sales-Pardo, M Navarro, R Tautenhahn, R Guimera, ...
arXiv preprint arXiv:1607.04122, 2016
52016
iMet: A computational tool for structural annotation of unknown metabolites from tandem mass spectra. arXiv 2016
A Aguilar-Mogas, M Sales-Pardo, M Navarro, R Tautenhahn, R Guimerà, ...
arXiv preprint arXiv:1607.04122, 0
5
A comprehensive study on different modelling approaches to predict platelet deposition rates in a perfusion chamber
J Pallarès, O Senan, R Guimerà, A Vernet, A Aguilar-Mogas, G Vilahur, ...
Scientific Reports 5 (1), 13606, 2015
32015
Obesity causes irreversible mitochondria failure in visceral adipose tissue despite successful anti-obesogenic lifestyle-based interventions
A Gonzalez-Franquesa, P Gama-Perez, M Kulis, N Dahdah, ...
BioRxiv, 2020.07. 08.194167, 2020
22020
A Bohmian total potential view to quantum effects. II: decay of temporarily trapped states
MF González, A Aguilar-Mogas, J González, R Crehuet, JM Anglada, ...
Theoretical Chemistry Accounts 123, 51-58, 2009
22009
Journal: Molecular Physics
A Aguilar-Mogas, X Giménez
2007
Supporting Material for: A comprehensive study on different modelling approaches to predict platelet deposition rates in a perfusion chamber
J Pallarès, O Senan, R Guimerà, A Vernet, A Aguilar-Mogas, G Vilahur, ...
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Articles 1–17