Antoni Aguilar-Mogas
机构: East Carolina University
每年引用次数
引用次数
引用: 431
H-指数: 10
I10-指数 : 10
出版物: 17
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 , J. M. Bofill
Molecular Physics 105 ( 19) 2475 -2492
14
2007
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
arXiv preprint arXiv:1607.04122
5
A Bayesian machine scientist to aid in the solution of challenging scientific problems
Marta Sales-Pardo , Roger Guimera , Antoni Aguilar-Mogas , Francesco A Massucci
arXiv: Learning
51
2020
iMet: A Network-Based Computational Tool To Assist in the Annotation of Metabolites from Tandem Mass Spectra
Antoni Aguilar-Mogas , Marta Sales-Pardo , Miriam Navarro , Roger Guimerà
Analytical Chemistry 89 ( 6) 3474 -3482
26
2017
On the implementation of the Runge-Kutta-Fehlberg algorithm to integrate intrinsic reaction coordinate paths
Antoni Aguilar-Mogas , Xavier Giménez , Josep Maria Bofill
Chemical Physics Letters 432 ( 1) 375 -382
9
2006
Implementation of an algorithm based on the Runge‐Kutta‐Fehlberg technique and the potential energy as a reaction coordinate to locate intrinsic reaction paths
Antoni Aguilar-Mogas , Xavier Giménez , Josep Maria Bofill
Journal of Computational Chemistry 31 ( 13) 2510 -2525
11
2010
A comprehensive study on different modelling approaches to predict platelet deposition rates in a perfusion chamber
Jordi Pallarès , Oriol Senan , Roger Guimerà , Anton Vernet
Scientific Reports 5 ( 1) 13606 -13606
3
2015
Obesity causes irreversible mitochondria failure in visceral adipose tissue despite successful anti-obesogenic lifestyle-based interventions
Alba Gonzalez-Franquesa , Pau Gama-Perez , Marta Kulis , Norma Dahdah
bioRxiv
2020
A Bohmian total potential view to quantum effects. II: decay of temporarily trapped states
María F. González , Antoni Aguilar-Mogas , Javier González , Ramon Crehuet
Theoretical Chemistry Accounts 123 ( 1) 51 -58
3
2009
The reaction between HO and (H2O)n (n = 1, 3) clusters: reaction mechanisms and tunneling effects
Javier Gonzalez , Marc Caballero , Antoni Aguilar-Mogas , Miquel Torrent-Sucarrat
Theoretical Chemistry Accounts 128 ( 4) 579 -592
33
2011
Exploration of cyclopropyl radical ring opening to allyl radical by Newton trajectories: importance of valley-ridge inflection points to understand the topography
Wolfgang Quapp , Josep Maria Bofill , Antoni Aguilar-Mogas
Theoretical Chemistry Accounts 129 ( 6) 803 -821
18
2011
Finding reaction paths using the potential energy as reaction coordinate.
Antoni Aguilar-Mogas , Xavier Giménez , Josep Maria Bofill
Journal of Chemical Physics 128 ( 10) 104102
17
2008
CliqueMS: a computational tool for annotating in-source metabolite ions from LC-MS untargeted metabolomics data based on a coelution similarity network.
Oriol Senan , Antoni Aguilar-Mogas , Miriam Navarro , Jordi Capellades
Bioinformatics 35 ( 20) 4089 -4097
62
2019
Remission of obesity and insulin resistance is not sufficient to restore mitochondrial homeostasis in visceral adipose tissue
Alba Gonzalez-Franquesa , Pau Gama-Perez , Marta Kulis , Karolina Szczepanowska
Redox Biology 54 102353
4
2022
iMet: A computational tool for structural annotation of unknown metabolites from tandem mass spectra
Antoni Aguilar-Mogas , Marta Sales-Pardo , Miriam Navarro , Ralf Tautenhahn
arXiv preprint arXiv:1607.04122
5
2016
Supporting Material for: A comprehensive study on different modelling approaches to predict platelet deposition rates in a perfusion chamber
Jordi Pallarès , Oriol Senan , Roger Guimerà , Anton Vernet
Journal: Molecular Physics
Antoni Aguilar-Mogas , Xavier Giménez
2007