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Journal of Chemical Information and Modeling
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July 2, 2019
QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry
Felipe Zapata, Lars Ridder, Johan Hidding, et al.
Journal of the American Chemical Society
|
March 24, 2005
Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin
Johannes C Hermann, Christian Hensen, Lars Ridder, et al.
Journal of Cheminformatics
|
October 30, 2021
MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra
Florian Huber, Sven van der Burg, Justin J J van der Hooft, et al.
Biochemistry
|
May 8, 2007
Molecular determinants of xenobiotic metabolism: QM/MM simulation of the conversion of 1-chloro-2,4-dinitrobenzene catalyzed by M1-1 glutathione S-transferase
Anna L Bowman, Lars Ridder, Ivonne M C M Rietjens, et al.
Frontiers in Bioengineering and Biotechnology
|
March 26, 2015
Enhanced acylcarnitine annotation in high-resolution mass spectrometry data: fragmentation analysis for the classification and annotation of acylcarnitines
Justin J J van der Hooft, Lars Ridder, Michael P Barrett, et al.
Peerj. Computer Science
|
April 5, 2021
Towards FAIR protocols and workflows: the OpenPREDICT use case
Remzi Celebi, Joao Rebelo Moreira, Ahmed A Hassan, et al.
Organic & Biomolecular Chemistry
|
March 23, 2004
Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction
Kara E Ranaghan, Lars Ridder, Borys Szefczyk, et al.
Faraday Discussions
|
May 24, 2019
Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra
Simon Rogers, Cher Wei Ong, Joe Wandy, et al.
Plos Computational Biology
|
February 16, 2021
Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
Florian Huber, Lars Ridder, Stefan Verhoeven, et al.
Rapid Communications in Mass Spectrometry : RCM
|
September 15, 2012
Substructure-based annotation of high-resolution multistage MS(n) spectral trees
Lars Ridder, Justin J J van der Hooft, Stefan Verhoeven, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 30) with videos related to
Sort By:
Page
of 3
Journal of Chemical Information and Modeling
|
July 2, 2019
QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry
Felipe Zapata, Lars Ridder, Johan Hidding, et al.
Journal of the American Chemical Society
|
March 24, 2005
Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin
Johannes C Hermann, Christian Hensen, Lars Ridder, et al.
Journal of Cheminformatics
|
October 30, 2021
MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra
Florian Huber, Sven van der Burg, Justin J J van der Hooft, et al.
Biochemistry
|
May 8, 2007
Molecular determinants of xenobiotic metabolism: QM/MM simulation of the conversion of 1-chloro-2,4-dinitrobenzene catalyzed by M1-1 glutathione S-transferase
Anna L Bowman, Lars Ridder, Ivonne M C M Rietjens, et al.
Frontiers in Bioengineering and Biotechnology
|
March 26, 2015
Enhanced acylcarnitine annotation in high-resolution mass spectrometry data: fragmentation analysis for the classification and annotation of acylcarnitines
Justin J J van der Hooft, Lars Ridder, Michael P Barrett, et al.
Peerj. Computer Science
|
April 5, 2021
Towards FAIR protocols and workflows: the OpenPREDICT use case
Remzi Celebi, Joao Rebelo Moreira, Ahmed A Hassan, et al.
Organic & Biomolecular Chemistry
|
March 23, 2004
Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction
Kara E Ranaghan, Lars Ridder, Borys Szefczyk, et al.
Faraday Discussions
|
May 24, 2019
Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra
Simon Rogers, Cher Wei Ong, Joe Wandy, et al.
Plos Computational Biology
|
February 16, 2021
Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
Florian Huber, Lars Ridder, Stefan Verhoeven, et al.
Rapid Communications in Mass Spectrometry : RCM
|
September 15, 2012
Substructure-based annotation of high-resolution multistage MS(n) spectral trees
Lars Ridder, Justin J J van der Hooft, Stefan Verhoeven, et al.
Page
of 3