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Metabolites
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August 25, 2023
SMetaS: A Sample Metadata Standardizer for Metabolomics
Parker Ladd Bremer, Oliver Fiehn
Journal of Cheminformatics
|
July 20, 2023
The BinDiscover database: a biology-focused meta-analysis tool for 156,000 GC-TOF MS metabolome samples
Parker Ladd Bremer, Gert Wohlgemuth, Oliver Fiehn
Journal of Chemical Information and Modeling
|
August 31, 2022
How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra
Parker Ladd Bremer, Arpana Vaniya, Tobias Kind, et al.
Analytical Chemistry
|
January 10, 2022
Quantum Chemical Prediction of Electron Ionization Mass Spectra of Trimethylsilylated Metabolites
Shunyang Wang, Tobias Kind, Parker Ladd Bremer, et al.
Journal of Chemical Information and Modeling
|
September 15, 2022
Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics
Shunyang Wang, Tobias Kind, Parker Ladd Bremer, et al.
Journal of Chemical Information and Modeling
|
May 9, 2020
Overcoming the Heuristic Nature of <i>k</i>-Means Clustering: Identification and Characterization of Binding Modes from Simulations of Molecular Recognition Complexes
Parker Ladd Bremer, Danna De Boer, Walter Alvarado, et al.
Journal of Biomolecular Structure & Dynamics
|
March 27, 2019
Understanding the enzyme-ligand complex: insights from all-atom simulations of butyrylcholinesterase inhibition
Walter Alvarado, Parker Ladd Bremer, Angela Choy, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Metabolites
|
August 25, 2023
SMetaS: A Sample Metadata Standardizer for Metabolomics
Parker Ladd Bremer, Oliver Fiehn
Journal of Cheminformatics
|
July 20, 2023
The BinDiscover database: a biology-focused meta-analysis tool for 156,000 GC-TOF MS metabolome samples
Parker Ladd Bremer, Gert Wohlgemuth, Oliver Fiehn
Journal of Chemical Information and Modeling
|
August 31, 2022
How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra
Parker Ladd Bremer, Arpana Vaniya, Tobias Kind, et al.
Analytical Chemistry
|
January 10, 2022
Quantum Chemical Prediction of Electron Ionization Mass Spectra of Trimethylsilylated Metabolites
Shunyang Wang, Tobias Kind, Parker Ladd Bremer, et al.
Journal of Chemical Information and Modeling
|
September 15, 2022
Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics
Shunyang Wang, Tobias Kind, Parker Ladd Bremer, et al.
Journal of Chemical Information and Modeling
|
May 9, 2020
Overcoming the Heuristic Nature of <i>k</i>-Means Clustering: Identification and Characterization of Binding Modes from Simulations of Molecular Recognition Complexes
Parker Ladd Bremer, Danna De Boer, Walter Alvarado, et al.
Journal of Biomolecular Structure & Dynamics
|
March 27, 2019
Understanding the enzyme-ligand complex: insights from all-atom simulations of butyrylcholinesterase inhibition
Walter Alvarado, Parker Ladd Bremer, Angela Choy, et al.
Page
of 1