ArticleInternational journal of mass spectrometry2011
Methods for the Analysis of High Precision Differential Hydrogen Deuterium Exchange Data.
Article in International journal of mass spectrometry, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.
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Who cites it
26 citing papers in PubMed.
- Fundamentals of HDX-MS.Essays in biochemistry · 2023Review
- Online Fully Automated System for Hydrogen/Deuterium-Exchange Mass Spectrometry with Millisecond Time Resolution.Analytical chemistry · 2023Article
- Simple and Fast Maximally Deuterated Control (maxD) Preparation for Hydrogen-Deuterium Exchange Mass Spectrometry Experiments.Analytical chemistry · 2022Article
- Advances in Hydrogen/Deuterium Exchange Mass Spectrometry and the Pursuit of Challenging Biological Systems.Chemical reviews · 2022Review
- Interlaboratory Comparison of Hydrogen-Deuterium Exchange Mass Spectrometry Measurements of the Fab Fragment of NISTmAb.Analytical chemistry · 2019Article
- Hybrid Structure of the RagA/C-Ragulator mTORC1 Activation Complex.Molecular cell · 2017Article
- Unique Interactome Network Signatures for Peroxisome Proliferator-activated Receptor Gamma (PPARγ) Modulation by Functional Selective Ligands.Molecular & cellular proteomics : MCP · 2017Article
- Novel Allosteric Pathway of Eg5 Regulation Identified through Multivariate Statistical Analysis of Hydrogen-Exchange Mass Spectrometry (HX-MS) Ligand Screening Data.Molecular & cellular proteomics : MCP · 2017Article
- Mapping of the Allosteric Site in Cholesterol Hydroxylase CYP46A1 for Efavirenz, a Drug That Stimulates Enzyme Activity.The Journal of biological chemistry · 2016Article
- Isotope Labeling of Biomolecules: Structural Analysis of Viruses by HDX-MS.Methods in enzymology · 2016Article
- Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.Nature communications · 2015Article
- Differential isotopic enrichment to facilitate characterization of asymmetric multimeric proteins using hydrogen/deuterium exchange mass spectrometry.Analytical chemistry · 2015Article
- Article
- HDX-MS guided drug discovery: small molecules and biopharmaceuticals.Current opinion in structural biology · 2014Review
- Identification of a small molecular insulin receptor agonist with potent antidiabetes activity.Diabetes · 2014Article
- Defining the communication between agonist and coactivator binding in the retinoid X receptor α ligand binding domain.The Journal of biological chemistry · 2014Article
- Glucagon-like peptide-1 receptor ligand interactions: structural cross talk between ligands and the extracellular domain.PloS one · 2014Article
- Platform dependencies in bottom-up hydrogen/deuterium exchange mass spectrometry.Molecular & cellular proteomics : MCP · 2013Article
- Small molecule modulation of nuclear receptor conformational dynamics: implications for function and drug discovery.Molecular pharmacology · 2013Review
- HDX workbench: software for the analysis of H/D exchange MS data.Journal of the American Society for Mass Spectrometry · 2012Article
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
Hydrogen/deuterium exchange (HDX) mass spectrometry has been widely applied to the characterization of protein dynamics. More recently, differential HDX has been shown to be effective for the characterization of ligand binding. Previously we have described a fully automated HDX system for use as a ligand screening platform. Here we describe and validate the required data analysis workflow to facilitate the use of HDX as a robust approach for ligand screening. Following acquisition of HDX data at a single on-exchange time point (n ≥ 3), one way analysis of variance in conjunction with the Tukey multiple comparison procedure is used to establish the significance of any measured difference. Analysis results are graphed with respect to a single peptide, ligand or group of ligands, or displayed as an overview within a heat map. For the heat map display, only Δ%D values with a Tukey-adjusted P value less than 0.05 are colored. Hierarchical clustering is used to bin compounds with highly similar HDX signatures. The workflow is evaluated with a small data set showing the ligand binding domain (LDB) of the nuclear receptor peroxisome proliferator-activated receptor gamma (PPARγ) screened against 10 functionally selective ligands. More significantly, data for the vitamin D receptor (VDR) in complex with 87 ligands are presented. To highlight the robustness and precision of our automated HDX platform we analyzed the data from 4191 replicate HDX measurements acquired over an eight month timeframe. Ninety six percent of these measurements were within 10 percent of the mean value. Work has begun to integrate these analysis and graphing components within our HDX software suite.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.