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Material Type: Artigo
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Automatic Chemical Structure Annotation of an LC-MSn Based Metabolic Profile from Green TeaRidder, Lars ; van der Hooft, Justin J J ; Verhoeven, Stefan ; de Vos, Ric C H ; Bino, Raoul J ; Vervoort, JacquesAnalytical chemistry (Washington), 2013-06, Vol.85 (12), p.6033-6033 [Periódico revisado por pares]Washington: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Structural Elucidation and Quantification of Phenolic Conjugates Present in Human Urine after Tea Intakevan der Hooft, Justin J. J ; de Vos, Ric C. H ; Mihaleva, Velitchka ; Bino, Raoul J ; Ridder, Lars ; de Roo, Niels ; Jacobs, Doris M ; van Duynhoven, John P. M ; Vervoort, JacquesAnalytical chemistry (Washington), 2012-08, Vol.84 (16), p.7263-7271 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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In Silico Prediction and Automatic LC–MSn Annotation of Green Tea Metabolites in UrineRidder, L.O ; Hooft, J.J.J., van der ; Verhoeven, S ; Vos, R.C.H., de ; Vervoort, J.J.M ; Bino, R.JAnalytical chemistry (Washington), 2014-05, Vol.86 (10) [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual MachineMcGuire, Ross ; Verhoeven, Stefan ; Vass, Márton ; Vriend, Gerrit ; de Esch, Iwan J. P ; Lusher, Scott J ; Leurs, Rob ; Ridder, Lars ; Kooistra, Albert J ; Ritschel, Tina ; de Graaf, ChrisJournal of chemical information and modeling, 2017-02, Vol.57 (2), p.115-121 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Aromatic Hydroxylation by Cytochrome P450: Model Calculations of Mechanism and Substituent EffectsBathelt, Christine M ; Ridder, Lars ; Mulholland, Adrian J ; Harvey, Jeremy NJournal of the American Chemical Society, 2003-12, Vol.125 (49), p.15004-15005 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum ChemistryZapata, Felipe ; Ridder, Lars ; Hidding, Johan ; Jacob, Christoph R ; Infante, Ivan ; Visscher, LucasJournal of chemical information and modeling, 2019-07, Vol.59 (7), p.3191-3197 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
7 |
Material Type: Artigo
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Ab Initio QM/MM Modeling of the Hydroxylation Step in p-Hydroxybenzoate HydroxylaseRidder, Lars ; Harvey, Jeremy N ; Rietjens, Ivonne M. C. M ; Vervoort, Jacques ; Mulholland, Adrian JThe journal of physical chemistry. B, 2003-03, Vol.107 (9), p.2118-2126 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
8 |
Material Type: Artigo
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A Quantum Mechanical/Molecular Mechanical Study of the Hydroxylation of Phenol and Halogenated Derivatives by Phenol HydroxylaseRidder, Lars ; Mulholland, Adrian J ; Rietjens, Ivonne M. C. M ; Vervoort, JacquesJournal of the American Chemical Society, 2000-09, Vol.122 (36), p.8728-8738 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Determinants of Reactivity and Selectivity in Soluble Epoxide Hydrolase from Quantum Mechanics/Molecular Mechanics ModelingLonsdale, Richard ; Hoyle, Simon ; Grey, Daniel T ; Ridder, Lars ; Mulholland, Adrian JBiochemistry (Easton), 2012-02, Vol.51 (8), p.1774-1786 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
10 |
Material Type: Artigo
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Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green teaRidder, Lars ; van der Hooft, Justin J J ; Verhoeven, Stefan ; de Vos, Ric C H ; Bino, Raoul J ; Vervoort, JacquesAnalytical chemistry (Washington), 2013-06, Vol.85 (12), p.6033-6040 [Periódico revisado por pares]United StatesTexto completo disponível |