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Ion Mobility-Derived Collision Cross Section As an Additional Measure for Lipid Fingerprinting and Identification

Analytical chemistry (Washington), 2015-01, Vol.87 (2), p.1137-1144

2015

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Self-assembly of toroidal proteins explored using native mass spectrometry

Chemical science (Cambridge), 2018-07, Vol.9 (28), p.6099-6106

2018

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Peroxiredoxin is a Versatile Self-Assembling Tecton for Protein Nanotechnology

Biomacromolecules, 2014-05, Vol.15 (5), p.1871-1881

2014

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An optimized SEC‐SAXS system enabling high X‐ray dose for rapid SAXS assessment with correlated UV measurements for biomolecular structure analysis

Journal of applied crystallography, 2018-02, Vol.51 (1), p.97-111

2018

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Comprehensive Assessment of GFN Tight-Binding and Composite Density Functional Theory Methods for Calculating Gas-Phase Infrared Spectra

Journal of chemical theory and computation, 2020-11, Vol.16 (11), p.7044-7060

2020

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Formation of Amyloid-like Fibrils by Ovalbumin and Related Proteins under Conditions Relevant to Food Processing

Journal of agricultural and food chemistry, 2007-01, Vol.55 (2), p.318-322

2007

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MolFind: A Software Package Enabling HPLC/MS-Based Identification of Unknown Chemical Structures

Analytical chemistry (Washington), 2012-11, Vol.84 (21), p.9388-9394

2012

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In Silico Enzymatic Synthesis of a 400 000 Compound Biochemical Database for Nontargeted Metabolomics

Journal of chemical information and modeling, 2013-09, Vol.53 (9), p.2483-2492

2013

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Metabolic Pathway Predictions for Metabolomics: A Molecular Structure Matching Approach

Journal of chemical information and modeling, 2015-03, Vol.55 (3), p.709-718

2015

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Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics

Analytical chemistry (Washington), 2018-11, Vol.90 (21), p.12752-12760

2018

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Combining Experimental with Computational Infrared and Mass Spectra for High-Throughput Nontargeted Chemical Structure Identification

Analytical chemistry (Washington), 2023-08, Vol.95 (32), p.11901-11907

2023

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Formation of Fe-silicates and Fe-oxides on bacterial surfaces in samples collected near hydrothermal vents on the Southern Explorer Ridge in the Northeast Pacific Ocean

The American mineralogist, 1998-12, Vol.83 (11-12), p.1399-1408

1998

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High-Throughput Non-targeted Chemical Structure Identification Using Gas-Phase Infrared Spectra

Analytical chemistry (Washington), 2021-08, Vol.93 (30), p.10688-10696

2021

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Inhibiting dihydrodipicolinate synthase across species: Towards specificity for pathogens?

Bioorganic & medicinal chemistry, 2008-01, Vol.18 (2), p.842-844

2008

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Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra

Analytical chemistry (Washington), 2008-07, Vol.80 (14), p.5574-5582

2008

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Cadmium complexation by bacteriogenic iron oxides from a subterranean environment

Journal of colloid and interface science, 2004-07, Vol.275 (1), p.82-89

2004

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CE50: Quantifying Collision Induced Dissociation Energy for Small Molecule Characterization and Identification

Journal of the American Society for Mass Spectrometry, 2009-09, Vol.20 (9), p.1759-1767

2009

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BioSM: Metabolomics Tool for Identifying Endogenous Mammalian Biochemical Structures in Chemical Structure Space

Journal of chemical information and modeling, 2013-03, Vol.53 (3), p.601-612

2013

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Optimizing artificial neural network models for metabolomics and systems biology: an example using HPLC retention index data

Bioanalysis, 2015-05, Vol.7 (8), p.939-955

2015

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Correlation of Ecom50 values between mass spectrometers: effect of collision cell radiofrequency voltage on calculated survival yield

Rapid communications in mass spectrometry, 2012-10, Vol.26 (19), p.2303-2310

2012

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Optimization of Immobilized Bacterial Disaccharides for Surface Plasmon Resonance Imaging Measurements of Antibody Binding

Langmuir, 2008-12, Vol.24 (24), p.14125-14132

2008

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Self-assembly of toroidal proteins explored using native mass spectrometry† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc01379a

Chemical science (Cambridge), 2018-06, Vol.9 (28), p.6099-6106

2018

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Prediction of HPLC Retention Index Using Artificial Neural Networks and IGroup E-State Indices

Journal of Chemical Information and Modeling, 2009-04, Vol.49 (4), p.788-799

2009

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Defining Mechanisms of Toxicity for Linoleic Acid Monoepoxides and Diols in Sf-21 Cells

Chemical research in toxicology, 2001-04, Vol.14 (4), p.431-437

2001

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Ion Mobility-Derived Collision Cross Section As an Additional Measure for Lipid Fingerprinting and Identification

Self-assembly of toroidal proteins explored using native mass spectrometry

Peroxiredoxin is a Versatile Self-Assembling Tecton for Protein Nanotechnology

An optimized SEC‐SAXS system enabling high X‐ray dose for rapid SAXS assessment with correlated UV measurements for biomolecular structure analysis

Comprehensive Assessment of GFN Tight-Binding and Composite Density Functional Theory Methods for Calculating Gas-Phase Infrared Spectra

Formation of Amyloid-like Fibrils by Ovalbumin and Related Proteins under Conditions Relevant to Food Processing

MolFind: A Software Package Enabling HPLC/MS-Based Identification of Unknown Chemical Structures

In Silico Enzymatic Synthesis of a 400 000 Compound Biochemical Database for Nontargeted Metabolomics

Metabolic Pathway Predictions for Metabolomics: A Molecular Structure Matching Approach

Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics

Combining Experimental with Computational Infrared and Mass Spectra for High-Throughput Nontargeted Chemical Structure Identification

Formation of Fe-silicates and Fe-oxides on bacterial surfaces in samples collected near hydrothermal vents on the Southern Explorer Ridge in the Northeast Pacific Ocean

High-Throughput Non-targeted Chemical Structure Identification Using Gas-Phase Infrared Spectra

Inhibiting dihydrodipicolinate synthase across species: Towards specificity for pathogens?

Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra

Cadmium complexation by bacteriogenic iron oxides from a subterranean environment

CE50: Quantifying Collision Induced Dissociation Energy for Small Molecule Characterization and Identification

BioSM: Metabolomics Tool for Identifying Endogenous Mammalian Biochemical Structures in Chemical Structure Space

Optimizing artificial neural network models for metabolomics and systems biology: an example using HPLC retention index data

Correlation of Ecom50 values between mass spectrometers: effect of collision cell radiofrequency voltage on calculated survival yield

Optimization of Immobilized Bacterial Disaccharides for Surface Plasmon Resonance Imaging Measurements of Antibody Binding

Self-assembly of toroidal proteins explored using native mass spectrometry† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc01379a

Prediction of HPLC Retention Index Using Artificial Neural Networks and IGroup E-State Indices

Defining Mechanisms of Toxicity for Linoleic Acid Monoepoxides and Diols in Sf-21 Cells

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