Lars Ridder

发表

Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships

Florian Huber, Lars Ridder, Stefan Verhoeven, 2020, bioRxiv.

Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra.

Lars Ridder, Joe Wandy, Simon Rogers, 2019, Faraday discussions.

Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra

Lars Ridder, Joe Wandy, Simon Rogers, 2018, bioRxiv.

QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry

Lars Ridder, Johan Hidding, Lucas Visscher, 2019, J. Chem. Inf. Model..

3D-E-Chem-Vm: Cheminformatics Toolbox In A Freely Available Virtual Machine

Lars Ridder, Stefan Verhoeven, Chris de Graaf, 2016 .

Reliable and automatic epilepsy classification with affordable, consumer-grade electroencephalography in rural sub-Saharan Africa

Lars Ridder, Willem M. Otte, Michel R.T. Sinke, 2018 .

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

Lars Ridder, Chris de Graaf, Tina Ritschel, 2017, J. Chem. Inf. Model..

Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450.

Lars Ridder, Adrian J Mulholland, Christine M. Bathelt, 2004, Organic & biomolecular chemistry.

A Quantum Mechanical/Molecular Mechanical Study of the Hydroxylation of Phenol and Halogenated Derivatives by Phenol Hydroxylase

Lars Ridder, Adrian J. Mulholland, Ivonne M. C. M. Rietjens, 2000 .

Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction.

Lars Ridder, Adrian J Mulholland, Kara E Ranaghan, 2004, Organic & biomolecular chemistry.

Quantum mechanical/molecular mechanical free energy simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide.

Lars Ridder, Adrian J Mulholland, Ivonne M C M Rietjens, 2002, Journal of the American Chemical Society.

SyGMa: Combining Expert Knowledge and Empirical Scoring in the Prediction of Metabolites

Lars Ridder, Markus Wagener, M. Wagener, 2008, ChemMedChem.

Revisiting the Rule of Five on the Basis of Pharmacokinetic Data from Rat

Lars Ridder, Markus Wagener, M. Wagener, 2011, ChemMedChem.

Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin.

Lars Ridder, Adrian J Mulholland, Hans-Dieter Höltje, 2005, Journal of the American Chemical Society.

Substructure-based annotation of high-resolution multistage MS(n) spectral trees.

Lars Ridder, Stefan Verhoeven, Jacques Vervoort, 2012, Rapid communications in mass spectrometry : RCM.

Structural elucidation of low abundant metabolites in complex sample matrices

Lars Ridder, Raoul J. Bino, Justin J. J. van der Hooft, 2013, Metabolomics.

Determinants of Reactivity and Selectivity in Soluble Epoxide Hydrolase from Quantum Mechanics/Molecular Mechanics Modeling

Lars Ridder, Adrian J. Mulholland, Richard Lonsdale, 2012, Biochemistry.

Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa.

Lars Ridder, Stefan Verhoeven, Justin J J van der Hooft, 2014, Mass spectrometry.

Ab initio QM/MM modeling of the hydroxylation step in p-hydroxybenzoate hydroxylase

Lars Ridder, Jeremy N. Harvey, Adrian J. Mulholland, 2003 .

Molecular mechanisms of antibiotic resistance: QM/MM modelling of deacylation in a class A β-lactamase

Lars Ridder, Adrian J Mulholland, Hans-Dieter Höltje, 2006 .

Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea.

Lars Ridder, Stefan Verhoeven, Justin J J van der Hooft, 2013, Analytical chemistry.

Molecular determinants of xenobiotic metabolism: QM/MM simulation of the conversion of 1-chloro-2,4-dinitrobenzene catalyzed by M1-1 glutathione S-transferase.

Lars Ridder, Adrian J Mulholland, Anna L. Bowman, 2007, Biochemistry.

Identification of Glu166 as the general base in the acylation reaction of class A beta-lactamases through QM/MM modeling.

Lars Ridder, Adrian J Mulholland, Hans-Dieter Höltje, 2003, Journal of the American Chemical Society.