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11 |
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 |
12 |
Material Type: Artigo
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Towards FAIR protocols and workflows: the OpenPREDICT use caseCelebi, Remzi ; Rebelo Moreira, Joao ; Hassan, Ahmed A ; Ayyar, Sandeep ; Ridder, Lars ; Kuhn, Tobias ; Dumontier, MichelPeerJ. Computer science, 2020-09, Vol.6, p.e281-e281, Article e281 [Periódico revisado por pares]United States: PeerJ. LtdTexto completo disponível |
13 |
Material Type: Artigo
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Adaptation of exercise‐induced stress in well‐trained healthy young menJanssenDuijghuijsen, Lonneke M. ; Keijer, Jaap ; Mensink, Marco ; Lenaerts, Kaatje ; Ridder, Lars ; Nierkens, Stefan ; Kartaram, Shirley W. ; Verschuren, Martie C. M. ; Pieters, Raymond H. H. ; Bas, Richard ; Witkamp, Renger F. ; Wichers, Harry J. ; Norren, KlaskeExperimental physiology, 2017-01, Vol.102 (1), p.86-99 [Periódico revisado por pares]England: John Wiley & Sons, IncTexto completo disponível |
14 |
Material Type: Artigo
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Structural elucidation of low abundant metabolites in complex sample matricesvan der Hooft, Justin J. J. ; de Vos, Ric C. H. ; Ridder, Lars ; Vervoort, Jacques ; Bino, Raoul J.Metabolomics, 2013-10, Vol.9 (5), p.1009-1018 [Periódico revisado por pares]Boston: Springer USTexto completo disponível |
15 |
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 |
16 |
Material Type: Artigo
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SyGMa: Combining Expert Knowledge and Empirical Scoring in the Prediction of MetabolitesRidder, Lars ; Wagener, MarkusChemMedChem, 2008-05, Vol.3 (5), p.821-832 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
17 |
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 |
18 |
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 |
19 |
Material Type: Artigo
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Modeling Biotransformation Reactions by Combined Quantum Mechanical / Molecular Mechanical Approaches: From Structure to ActivityRidder, Lars ; Mulholland, Adrian JCurrent topics in medicinal chemistry, 2003-01, Vol.3 (11), p.1241-1256 [Periódico revisado por pares]United Arab Emirates: Bentham Science Publishers LtdTexto completo disponível |
20 |
Material Type: Artigo
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Elucidating the Trends in Reactivity of Aza‐1,3‐Dipolar CycloadditionsHamlin, Trevor A. ; Svatunek, Dennis ; Yu, Song ; Ridder, Lars ; Infante, Ivan ; Visscher, Lucas ; Bickelhaupt, F. MatthiasEuropean journal of organic chemistry, 2019-01, Vol.2019 (2-3), p.378-386 [Periódico revisado por pares]Weinheim: Wiley Subscription Services, IncTexto completo disponível |