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Lista de obras de David S Wishart

(1)H, (13)C and (15)N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effects

artículo científico publicado en 1995

1H, 13C and 15N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effects

artículo científico publicado en 1995

3D-RISM-Dock: A New Fragment-Based Drug Design Protocol

artículo científico publicado en 2012

3D-RISM-KH approach for biomolecular modelling at nanoscale: thermodynamics of fibril formation and beyond

597: Metabolomic prediction of trisomy 18 first trimester pregnancies

A Comprehensive Targeted Metabolomic Assay for Urine Analysis

artículo científico publicado en 2020

A Cross-Platform Metabolomics Comparison Identifies Serum Metabolite Signatures of Liver Fibrosis Progression in Chronic Hepatitis C Patients

artículo científico publicado en 2021

A High-Performing Plasma Metabolite Panel for Early-Stage Lung Cancer Detection

scientific article published on 07 March 2020

A Simple Method to Measure Protein Side-Chain Mobility Using NMR Chemical Shifts

article

A Simple and Convenient Synthesis of Unlabeled and C-Labeled 3-(3-Hydroxyphenyl)-3-Hydroxypropionic Acid and Its Quantification in Human Urine Samples

artículo científico publicado en 2018

A Systematic Review and Comprehensive Evaluation of Human Intervention Studies to Unravel the Bioavailability of Hydroxycinnamic Acids

artículo científico publicado en 2024

A Web Tool for Generating High Quality Machine-readable Biological Pathways

artículo científico publicado en 2017

A deep generative model enables automated structure elucidation of novel psychoactive substances

artículo científico publicado en 2021

A fast, sensitive, single-step colorimetric dipstick assay for quantifying ascorbic acid in urine

artículo científico publicado en 2019

A metabolomics approach to uncover the effects of grain diets on rumen health in dairy cows

article

A probabilistic approach for validating protein NMR chemical shift assignments

artículo científico publicado en 2010

A review on human fecal metabolomics: Methods, applications and the human fecal metabolome database

scientific article published on 12 May 2018

A robust algorithm for optimizing protein structures with NMR chemical shifts.

artículo científico publicado en 2015

A scheme for a flexible classification of dietary and health biomarkers

artículo científico publicado en 2017

A sensitive, high-throughput LC-MS/MS method for measuring catecholamines in low volume serum

artículo científico publicado en 2018

A simple and sensitive biosensor for rapid detection of nanoparticles in water

A simple in vitro assay for assessing the efficacy, mechanisms and kinetics of anti-prion fibril compounds

artículo científico publicado en 2018

A simple method to adjust inconsistently referenced 13C and 15N chemical shift assignments of proteins

artículo científico publicado en 2005

A simple method to predict protein flexibility using secondary chemical shifts

artículo científico publicado en 2005

Accessible surface area from NMR chemical shifts

artículo científico publicado en 2015

Accurate prediction of protein torsion angles using chemical shifts and sequence homology

article by Stephen Neal et al published 2006 in Magnetic Resonance in Chemistry

Accurate, fully-automated NMR spectral profiling for metabolomics ⬇️

artículo científico publicado en 2015

Advances in metabolite identification

artículo científico publicado en 2011

Age and sex determine conversion from immediate-release to extended-release tacrolimus in a multi-center cohort of Canadian pediatric renal transplant recipients

artículo científico publicado en 2020

AllerGen’s 8th research conference.

artículo científico publicado en 2016

An NMR approach to structural proteomics

artículo científico publicado en 2002

An improved method to detect correct protein folds using partial clustering

artículo científico publicado en 2013

An improved synthesis of α-13C glycine and heteronuclear NMR studies of its incorporation into thioredoxin

scholarly article by David S Wishart et al published December 1992 in Journal of Labelled Compounds and Radiopharmaceuticals

Application of solid phase peptide synthesis to engineering PEO–peptide block copolymers for drug delivery

Application of the random coil index to studying protein flexibility

Applications of metabolomics in drug discovery and development

artículo científico publicado en 2008

Assessing the performance of genome-wide association studies for predicting disease risk

scientific article published on 05 December 2019

Association thermodynamics and conformational stability of beta-sheet amyloid beta(17-42) oligomers: effects of E22Q (Dutch) mutation and charge neutralization

artículo científico publicado en 2010

Author Correction: Recombinant Incretin-Secreting Microbe Improves Metabolic Dysfunction in High-Fat Diet Fed Rodents

artículo científico publicado en 2020

Automated Tools for the Analysis of 1D-NMR and 2D-NMR Spectra

artículo científico publicado en 2019

Automated bacterial genome analysis and annotation

artículo científico publicado en 2006

BASys: a web server for automated bacterial genome annotation

artículo científico publicado en 2005

BacMap: an interactive picture atlas of annotated bacterial genomes

artículo científico publicado en 2005

BacMap: an up-to-date electronic atlas of annotated bacterial genomes

artículo científico publicado en 2012

Backbone 1H, 15N and 13C assignments for the human rhinovirus 3C protease (serotype 14).

artículo científico publicado en 2003

BioSpider: a web server for automating metabolome annotations.

artículo científico

BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

scientific article published on 05 January 2019

Bioinformatics for Metabolomics

Bioinformatics in drug development and assessment

artículo científico publicado en 2005

Biomarker of food intake for assessing the consumption of dairy and egg products

artículo científico publicado en 2018

Brassica villosa, a system for studying non-glandular trichomes and genes in the Brassicas

artículo científico publicado en 2014

CEU Mass Mediator 3.0: A Metabolite Annotation Tool

artículo científico publicado en 2018

CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification.

artículo científico publicado en 2019

CFM-ID 4.0 – a web server for accurate MS-based metabolite identification

artículo científico publicado en 2022

CFM-ID 4.0: More Accurate ESI-MS/MS Spectral Prediction and Compound Identification

artículo científico publicado en 2021

CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra

artículo científico publicado en 2014

CHAPTER 3. Metabolomics

artículo científico publicado en 2020

CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data

artículo científico publicado en 2008

CSI 2.0: a significantly improved version of the Chemical Shift Index.

artículo científico publicado en 2014

CSI 3.0: a web server for identifying secondary and super-secondary structure in proteins using NMR chemical shifts

artículo científico publicado en 2015

Calculation of local water densities in biological systems: a comparison of molecular dynamics simulations and the 3D-RISM-KH molecular theory of solvation

artículo científico publicado en 2010

Cancer Metabolomics and the Human Metabolome Database

artículo científico publicado en 2016

Candidate serum metabolite biomarkers of residual feed intake and carcass merit in sheep

artículo científico publicado en 2020

Chapter 3: Small molecules and disease

artículo científico publicado en 2012

Characterization of a highly potent antimicrobial peptide microcin N from uropathogenic Escherichia coli

artículo científico publicado en 2016

Characterization of biopharmaceuticals by NMR spectroscopy

Chemical Composition of Commercial Cow's Milk

scientific article published on 17 April 2019

Chemical shifts as a tool for structure determination

artículo científico publicado en 1994

Circular genome visualization and exploration using CGView

artículo científico publicado en 2004

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

artículo científico publicado en 2016

Clinical phenotype clustering in cardiovascular risk patients for the identification of responsive metabotypes after red wine polyphenol intake.

artículo científico publicado en 2015

Clostridioides difficile Colonization Is Differentially Associated With Gut Microbiome Profiles by Infant Feeding Modality at 3-4 Months of Age

scientific article published on 11 December 2019

Combining traditional dietary assessment methods with novel metabolomics techniques: present efforts by the Food Biomarker Alliance

artículo científico publicado en 2017

Comparative analysis of essential collective dynamics and NMR-derived flexibility profiles in evolutionarily diverse prion proteins

artículo científico publicado en 2011

Comparison of SDS- and methanol-assisted protein solubilization and digestion methods for Escherichia coli membrane proteome analysis by 2-D LC-MS/MS.

artículo científico publicado en 2007

Comparison of the metabolomic profiles of irritable bowel syndrome patients with ulcerative colitis patients and healthy controls: new insights into pathophysiology and potential biomarkers

artículo científico publicado en 2019

Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

article

Complete 1H and non-carbonylic 13C assignments of native hen egg-white lysozyme

artículo científico publicado en 2000

Complete 1H, 13C and 15N backbone assignments for the hepatitis A virus 3C protease

artículo científico publicado en 2001

Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification.

artículo científico publicado en 2016

Computational Strategies for Metabolite Identification in Metabolomics ⬇️

artículo científico publicado el 1 de diciembre de 2009

Computational approaches to metabolomics

artículo científico publicado en 2010

Computational systems biology in cancer: modeling methods and applications.

scientific article published on 17 September 2007

Computational systems biology in drug discovery and development: methods and applications

artículo científico publicado en 2007

Constrained multiple sequence alignment using XALIGN.

artículo científico publicado en 1994

Correction: Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics

artículo científico publicado en 2015

CpG-ODN induced antimicrobial immunity in neonatal chicks involves a substantial shift in serum metabolic profiles

artículo científico publicado en 2021

Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems

artículo científico publicado en 2016

Current progress in computational metabolomics

artículo científico publicado en 2007

CypReact: A Software Tool for in Silico Reactant Prediction for Human Cytochrome P450 Enzymes

artículo científico publicado en 2018

DI/LC-MS/MS-Based Metabolic Profiling for Identification of Early Predictive Serum Biomarkers of Metritis in Transition Dairy Cows

artículo científico publicado en 2017

Databases on food phytochemicals and their health-promoting effects

artículo científico publicado en 2011

Defects in fatty acid amide hydrolase 2 in a male with neurologic and psychiatric symptoms

artículo científico publicado en 2015

Design, synthesis and characterization of a water-soluble β-sheet peptide

artículo científico publicado en 1995

Detailed biophysical characterization of the acid-induced PrP(c) to PrP(β) conversion process.

artículo científico publicado en 2011

Detecting Renal Allograft Inflammation Using Quantitative Urine Metabolomics and CXCL10.

artículo científico publicado en 2016

Developing trends in aptamer-based biosensor devices and their applications

artículo científico publicado en 2014

Development and Validation of a High-Throughput Mass Spectrometry Based Urine Metabolomic Test for the Detection of Colonic Adenomatous Polyps

artículo científico publicado en 2017

Development of Ecom₅₀ and retention index models for nontargeted metabolomics: identification of 1,3-dicyclohexylurea in human serum by HPLC/mass spectrometry

artículo científico publicado en 2012

Development of a novel virtual screening cascade protocol to identify potential trypanothione reductase inhibitors

artículo científico publicado en 2009

Development of isotope labeling liquid chromatography mass spectrometry for mouse urine metabolomics: quantitative metabolomic study of transgenic mice related to Alzheimer's disease

artículo científico publicado en 2014

Diagnosis of inborn errors of metabolism using 1H NMR spectroscopic analysis of urine

article

Dietary and health biomarkers-time for an update.

artículo científico publicado en 2017

Dietary and metabolomic determinants of relapse in ulcerative colitis patients: A pilot prospective cohort study.

artículo científico publicado en 2017

Differential metabolite profiles and salinity tolerance between two genetically related brown-seeded and yellow-seeded Brassica carinata lines

artículo científico publicado en 2012

Discovering drug targets through the web.

artículo científico publicado en 2006

Discovery of Small Molecule Inhibitors that Interact with γ-Tubulin

artículo científico publicado en 2012

Drug-target discovery in silico: using the web to identify novel molecular targets for drug action.

artículo científico publicado en 2007

DrugBank

scholarly article

DrugBank 3.0: a comprehensive resource for 'omics' research on drugs

artículo científico publicado en 2011

DrugBank 4.0: shedding new light on drug metabolism

artículo científico publicado en 2014

DrugBank 5.0: a major update to the DrugBank database for 2018.

artículo científico publicado en 2017

DrugBank and its relevance to pharmacogenomics

artículo científico publicado en 2008

DrugBank: a comprehensive resource for in silico drug discovery and exploration

artículo científico publicado en 2006

DrugBank: a knowledgebase for drugs, drug actions and drug targets

artículo científico publicado en 2008

Dynamic cellular automata: an alternative approach to cellular simulation

artículo científico publicado en 2005

Dynamic relationships among type IIa bacteriocins: temperature effects on antimicrobial activity and on structure of the C-terminal amphipathic alpha helix as a receptor-binding region

artículo científico publicado en 2004

ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli

artículo científico publicado en 2015

ECMDB: the E. coli Metabolome Database

artículo científico publicado en 2012

Early surveillance biopsy utilization and management of pediatric renal allograft acute T cell-mediated rejection in Canadian centers: Observations from the PROBE multicenter cohort study

artículo científico publicado en 2020

Edible nuts deliver polyphenols and their transformation products to the large intestine: An in vitro fermentation model combining targeted/untargeted metabolomics

scientific article published on 11 September 2018

Editorial: metabolomic biomarkers for colorectal adenocarcinoma and in the differentiation between irritable bowel syndrome and ulcerative colitis in clinical remission - confounded by the gut microbiome? Authors' reply

artículo científico publicado en 2019

Effect of Diet on the Vitamin B Profile of Bovine Milk-Based Protein Ingredients

scientific article published on 04 May 2020

Emerging applications of metabolomics in drug discovery and precision medicine

artículo científico publicado en 2016

Erratum to Residue-specific mobility changes in soluble oligomers of the prion protein define regions involved in aggregation, BBAPAP (2018) 982-988

scientific article published on 01 August 2018

Escherichia coli K-12: a cooperatively developed annotation snapshot--2005

artículo científico publicado en 2006

Essential Role of Hydration in Aggregation of Misfolded Prion Proteins: Quantification by Molecular Theory of Solvation

Evidence for copurification of micronuclei in sucrose density gradient-enriched plasma membranes from cell lines.

artículo científico publicado en 2009

Evolution of renal function and urinary biomarker indicators of inflammation on serial kidney biopsies in pediatric kidney transplant recipients with and without rejection.

artículo científico publicado en 2018

Excretory/Secretory Metabolome of the Zoonotic Roundworm Parasite Toxocara canis

scientific article published on 06 August 2020

Exome Sequencing and the Management of Neurometabolic Disorders.

artículo científico publicado en 2016

Experimental and computational study of the interaction of novel colchicinoids with a recombinant human αI/βI-tubulin heterodimer.

artículo científico publicado en 2013

Exploring human metabolites using the human metabolome database

artículo científico publicado en 2009

Exploring the essential collective dynamics of interacting proteins: Application to prion protein dimers

article

Exploring the essential collective dynamics of interacting proteins: application to prion protein dimers

artículo científico publicado en 2012

Exposome-Explorer 2.0: an update incorporating candidate dietary biomarkers and dietary associations with cancer risk

artículo científico publicado en 2019

Exposome-Explorer: a manually-curated database on biomarkers of exposure to dietary and environmental factors

artículo científico publicado en 2016

FOBI: an ontology to represent food intake data and associate it with metabolomic data

scientific article published on 01 January 2020

Fatty acid composition of developing sea buckthorn (Hippophae rhamnoides L.) berry and the transcriptome of the mature seed

artículo científico publicado en 2012

Fecal Short-Chain Fatty Acid Variations by Breastfeeding Status in Infants at 4 Months: Differences in Relative versus Absolute Concentrations

scientific article published on 10 April 2017

Fecal transplant from resveratrol-fed donors improves glycaemia and cardiovascular features of the metabolic syndrome in mice

artículo científico publicado en 2018

First-trimester metabolomic detection of late-onset preeclampsia

artículo científico publicado en 2012

First-trimester metabolomic prediction of stillbirth

scientific article published on 30 April 2018

From birth to overweight and atopic disease: multiple and common pathways of the infant gut microbiome

scientific article published on 15 September 2020

Functionalized gold nanoparticle-enhanced competitive assay for sensitive small-molecule metabolite detection using surface plasmon resonance

artículo científico publicado en 2017

GC-MS Metabolomics Identifies Metabolite Alterations That Precede Subclinical Mastitis in the Blood of Transition Dairy Cows

artículo científico publicado en 2016

GeNMR: a web server for rapid NMR-based protein structure determination

artículo científico publicado en 2009

GelScape: a web-based server for interactively annotating, manipulating, comparing and archiving 1D and 2D gel images

artículo científico publicado en 2004

Genomic sequence and activity of KS10, a transposable phage of the Burkholderia cepacia complex

artículo científico publicado en 2008

Growth of Malignant Non-CNS Tumors Alters Brain Metabolome

artículo científico publicado en 2018

Guest Editorial- special issue on ‘-omics’ based companion diagnostics for personalized medicine

artículo científico publicado en 2014

Guidelines for Biomarker of Food Intake Reviews (BFIRev): how to conduct an extensive literature search for biomarker of food intake discovery.

artículo científico publicado en 2018

Gut Microenvironment and Bacterial Invasion in Paediatric Inflammatory Bowel Diseases

artículo científico publicado en 2020

HMDB 3.0--The Human Metabolome Database in 2013

artículo científico publicado en 2013

HMDB 4.0: the human metabolome database for 2018.

artículo científico publicado en 2017

HMDB 5.0: the Human Metabolome Database for 2022

artículo científico publicado en 2022

HMDB: a knowledgebase for the human metabolome

artículo científico publicado en 2009

HMDB: the Human Metabolome Database

artículo científico publicado en 2007

Hair metabolomics: identification of fetal compromise provides proof of concept for biomarker discovery.

artículo científico publicado en 2014

Heatmapper: web-enabled heat mapping for all

artículo científico publicado en 2016

Herbs and Spices- Biomarkers of Intake Based on Human Intervention Studies - A Systematic Review

artículo científico publicado en 2019

Human Metabolome Database: completing the ‘human parts list’

Hydration effects on the HET-s prion and amyloid-beta fibrillous aggregates, studied with three-dimensional molecular theory of solvation

artículo científico publicado en 2008

INMEX--a web-based tool for integrative meta-analysis of expression data

artículo científico publicado en 2013

Identification and characterization of ϕH111-1: A novel myovirus with broad activity against clinical isolates of Burkholderia cenocepacia

scientific article published on October 2013

Identification of Primary Natural Killer Cell Modulators by Chemical Library Screening with a Luciferase-Based Functional Assay

artículo científico publicado en 2018

Identification of a novel archaebacterial thioredoxin: determination of function through structure

artículo científico publicado en 2002

Identification of bacteria using tandem mass spectrometry combined with a proteome database and statistical scoring

artículo científico publicado en 2004

Identification of candidate biomarkers of brain damage in a mouse model of closed head injury: a metabolomic pilot study

article

Identification of novel and known oocyte-specific genes using complementary DNA subtraction and microarray analysis in three different species

artículo científico publicado en 2005

Identification of predictive biomarkers of disease state in transition dairy cows

scientific article published on 13 March 2014

Identifying Putative Drug Targets and Potential Drug Leads

Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking

artículo científico publicado en 2015

Immunometabolic signatures predict risk of progression to sepsis in COVID-19

artículo científico publicado en 2021

Impact of Bovine Diet on Metabolomic Profile of Skim Milk and Whey Protein Ingredients

artículo científico publicado en 2019

Impaired branched chain amino acid oxidation contributes to cardiac insulin resistance in heart failure

artículo científico publicado en 2019

Improved Glucose Homeostasis in Obese Mice Treated With Resveratrol Is Associated With Alterations in the Gut Microbiome

artículo científico publicado en 2016

Improved synthetic methods for the selective deuteration of aromatic amino acids: applications of selective protonation towards the identification of protein folding intermediates through nuclear magnetic resonance.

artículo científico publicado en 1993

Improving the accuracy of protein secondary structure prediction using structural alignment

artículo científico publicado en 2006

In Sffamily Identification of Genes in Bacteriophage DNA

article

In silico drug exploration and discovery using DrugBank

artículo científico publicado en 2007

In silico studies and fluorescence binding assays of potential anti-prion compounds reveal an important binding site for prion inhibition from PrPC to PrPSc

artículo científico publicado en 2014

Initial Structural Models of the Aβ42 Dimer from Replica Exchange Molecular Dynamics Simulations

scientific article published on 07 November 2017

Insights into origins and function of the unexplored majority of the reductive dehalogenase gene family as a result of genome assembly and ortholog group classification

artículo científico publicado en 2020

Intermolecular transmission of superoxide dismutase 1 misfolding in living cells

artículo científico publicado en 2011

International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis

scientific article published on 08 November 2019

Interpreting protein chemical shift data ⬇️

artículo científico publicado el 5 de agosto de 2010

Introduction to Cheminformatics

artículo científico publicado en 2016

Is Cancer a Genetic Disease or a Metabolic Disease?

artículo científico publicado en 2015

Isolation of soluble scFv antibody fragments specific for small biomarker molecule, L-Carnitine, using phage display

artículo científico publicado en 2015

Learning to predict cancer-associated skeletal muscle wasting from 1H-NMR profiles of urinary metabolites

article published in 2010

Letter to the Editor: Complete 1H, 13C and 15N NMR assignments of MTH0776 from Methanobacterium thermoautotrophicum

Lipopolysaccharide induced conversion of recombinant prion protein.

artículo científico publicado en 2014

Liquid chromatography electrospray ionization and matrix-assisted laser desorption ionization tandem mass spectrometry for the analysis of lipid raft proteome of monocytes

artículo científico publicado en 2008

Livestock metabolomics and the livestock metabolome: A systematic review

artículo científico publicado en 2017

METAGENassist: a comprehensive web server for comparative metagenomics

artículo científico publicado en 2012

MSEA: a web-based tool to identify biologically meaningful patterns in quantitative metabolomic data

artículo científico publicado en 2010

MarkerDB: an online database of molecular biomarkers

scientific article published on 27 November 2020

Mass-spec-based urinary metabotyping around parturition identifies screening biomarkers for subclinical mastitis in dairy cows

scientific article published on 03 January 2020

Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research

artículo científico publicado en 2009

MetATT: a web-based metabolomics tool for analyzing time-series and two-factor datasets

artículo científico publicado en 2011

MetPA: a web-based metabolomics tool for pathway analysis and visualization

artículo científico publicado en 2010

MetaboAnalyst 2.0--a comprehensive server for metabolomic data analysis

artículo científico publicado en 2012

MetaboAnalyst 3.0--making metabolomics more meaningful

artículo científico publicado en 2015

MetaboAnalyst 4.0: towards more transparent and integrative metabolomics analysis.

artículo científico publicado en 2018

MetaboAnalyst: a web server for metabolomic data analysis and interpretation

artículo científico publicado en 2009

MetaboMiner--semi-automated identification of metabolites from 2D NMR spectra of complex biofluids

artículo científico publicado en 2008

Metabolic Profile of Ex Vivo Lung Perfusate Yields Biomarkers for Lung Transplant Outcomes

artículo científico publicado en 2018

Metabolic signatures of Huntington's disease (HD): (1)H NMR analysis of the polar metabolome in post-mortem human brain.

artículo científico publicado en 2016

Metabolite profiling and expression analysis of flavonoid, vitamin C and tocopherol biosynthesis genes in the antioxidant-rich sea buckthorn (Hippophae rhamnoides L.)

article

Metabolome analysis of 20 taxonomically related benzylisoquinoline alkaloid-producing plants

artículo científico publicado en 2015

Metabolomic Data Exploration and Analysis with the Human Metabolome Database

artículo científico publicado en 2020

Metabolomic analysis for first-trimester Down syndrome prediction

artículo científico publicado en 2013

Metabolomic analysis for first-trimester trisomy 18 detection

article

Metabolomic analysis of cold acclimation of Arctic Mesorhizobium sp. strain N33

artículo científico publicado en 2013

Metabolomic data processing, analysis, and interpretation using MetaboAnalyst

artículo científico publicado en 2011

Metabolomic determination of pathogenesis of late-onset preeclampsia

artículo científico publicado en 2016

Metabolomic fingerprint of heart failure with preserved ejection fraction

artículo científico publicado en 2015

Metabolomic prediction of endometrial cancer

artículo científico publicado en 2017

Metabolomic prediction of fetal congenital heart defect in the first trimester

artículo científico publicado en 2014

Metabolomic profiling of the excretory-secretory products of hookworm and whipworm

scientific article published on 28 June 2019

Metabolomics Profiling of Critically Ill Coronavirus Disease 2019 Patients: Identification of Diagnostic and Prognostic Biomarkers

artículo científico publicado en 2020

Metabolomics and first-trimester prediction of early-onset preeclampsia

artículo científico publicado en 2012

Metabolomics enables precision medicine: "A White Paper, Community Perspective"

artículo científico publicado en 2016

Metabolomics for Investigating Physiological and Pathophysiological Processes

scientific article published on 01 October 2019

Metabolomics in Humans and Other Mammals

Metabolomics in monitoring kidney transplants

artículo científico publicado en 2006

Metabolomics reveals unhealthy alterations in rumen metabolism with increased proportion of cereal grain in the diet of dairy cows

article by Burim N. Ametaj et al published 14 July 2010 in Metabolomics

Metabolomics: a complementary tool in renal transplantation

artículo científico publicado en 2008

Metabolomics: applications to food science and nutrition research

Metabolomics: the principles and potential applications to transplantation.

artículo científico publicado en 2005

Metformin and Dipeptidyl Peptidase-4 Inhibitor Differentially Modulate the Intestinal Microbiota and Plasma Metabolome of Metabolically Dysfunctional Mice

scientific article published on 27 May 2019

MiMeDB: the Human Microbial Metabolome Database

Microarray analysis of rejection in human kidney transplants using pathogenesis-based transcript sets.

artículo científico publicado en 2007

Microbiome and metabolome modifying effects of several cardiovascular disease interventions in apo-E-/- mice

artículo científico publicado en 2017

Milk Metabotyping Identifies Metabolite Alterations in the Whole Raw Milk of Dairy Cows with Lameness

scientific article published on 03 April 2020

Minimum information about a bioactive entity (MIABE).

artículo científico publicado en 2011

Modulation of structure and antibacterial and hemolytic activity by ring size in cyclic gramicidin S analogs

artículo científico publicado en 1996

Molecular Signatures of End-Stage Heart Failure

article

Molecular docking of thiamine reveals similarity in binding properties between the prion protein and other thiamine-binding proteins

artículo científico publicado en 2013

Molecular interactions between monoclonal oligomer-specific antibody 5E3 and its amyloid beta cognates

artículo científico publicado en 2020

MovieMaker: a web server for rapid rendering of protein motions and interactions

artículo científico publicado en 2005

Multi-platform characterization of the human cerebrospinal fluid metabolome: a comprehensive and quantitative update

artículo científico publicado en 2012

MyCompoundID: using an evidence-based metabolome library for metabolite identification

artículo científico publicado en 2013

Myxoma virus and malignant rabbit fibroma virus encode a serpin-like protein important for virus virulence

artículo científico publicado en 1990

NMR Exchange Format: a unified and open standard for representation of NMR restraint data

artículo científico publicado en 2015

NMR Spectroscopy for Metabolomics Research

scientific article published on 27 June 2019

NMR metabolomics: A look ahead

artículo científico publicado en 2019

NMR solution structure of the precursor for carnobacteriocin B2, an antimicrobial peptide from Carnobacterium piscicola

artículo científico publicado en 2004

NMR solution structures of the apo and peptide-inhibited human rhinovirus 3C protease (Serotype 14): structural and dynamic comparison

artículo científico publicado en 2007

NMR spectroscopy and protein structure determination: applications to drug discovery and development.

artículo científico publicado en 2005

NMR: prediction of protein flexibility

artículo científico publicado en 2006

NP-MRD: the Natural Products Magnetic Resonance Database

scientific article published on 01 January 2022

Nano-Optomechanical Systems for Gas Chromatography

artículo científico publicado en 2016

Nanopore analysis of wild-type and mutant prion protein (PrP(C)): single molecule discrimination and PrP(C) kinetics

artículo científico publicado en 2013

Non-invasive differentiation of non-rejection kidney injury from acute rejection in pediatric renal transplant recipients

artículo científico publicado en 2019

Non-invasive staging of chronic kidney allograft damage using urine metabolomic profiling

artículo científico publicado en 2018

Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies

artículo científico publicado en 2018

Online Databases and Web Servers for Drug Metabolism Research

PA-GOSUB: a searchable database of model organism protein sequences with their predicted Gene Ontology molecular function and subcellular localization

artículo científico publicado en 2005

PAMDB: a comprehensive Pseudomonas aeruginosa metabolome database.

artículo científico publicado en 2017

PHAST, PHASTER and PHASTEST: Tools for finding prophage in bacterial genomes

artículo científico publicado en 2017

PHAST: a fast phage search tool

artículo científico publicado en 2011

PHASTER: a better, faster version of the PHAST phage search tool

artículo científico publicado en 2016

PPT-DB: the protein property prediction and testing database.

artículo científico publicado en 2007

PREDITOR: a web server for predicting protein torsion angle restraints

artículo científico publicado en 2006

PROSESS: a protein structure evaluation suite and server

artículo científico publicado en 2010

PROTEUS2: a web server for comprehensive protein structure prediction and structure-based annotation

artículo científico publicado en 2008

PSA fluoroimmunoassays using anti-PSA ScFv and quantum-dot conjugates

artículo científico publicado en 2008

Pasture Feeding Changes the Bovine Rumen and Milk Metabolome.

artículo científico publicado en 2018

PathBank: a comprehensive pathway database for model organisms

artículo científico publicado en 2020

Pathways with PathWhiz

artículo científico publicado en 2015

Peptide-based fluorescence biosensors for detection/measurement of nanoparticles.

artículo científico publicado en 2016

Perspective: Dietary Biomarkers of Intake and Exposure-Exploration with Omics Approaches

artículo científico publicado en 2020

Phenol-Explorer 2.0: a major update of the Phenol-Explorer database integrating data on polyphenol metabolism and pharmacokinetics in humans and experimental animals

artículo científico publicado en 2012

Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol content

artículo científico publicado en 2013

Picornain 3C (human rhinovirus)

PlasMapper: a web server for drawing and auto-annotating plasmid maps

artículo científico publicado en 2004

PolySearch2: a significantly improved text-mining system for discovering associations between human diseases, genes, drugs, metabolites, toxins and more

artículo científico publicado en 2015

PolySearch: a web-based text mining system for extracting relationships between human diseases, genes, mutations, drugs and metabolites

artículo científico publicado en 2008

Porous Nanophotonic Optomechanical Beams for Enhanced Mass Adsorption

scientific article published on 23 April 2019

Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach

artículo científico publicado en 2011

Predictive models for breast cancer susceptibility from multiple single nucleotide polymorphisms.

artículo científico publicado en 2004

Preparation and characterization of a highly soluble Aβ1-42 peptide variant

scientific article published on 16 August 2019

Probing the structural determinants of type II' beta-turn formation in peptides and proteins

artículo científico publicado en 2002

Production of an Anti-Prostate-Specific Antigen Single-Chain Antibody Fragment from Pichia pastoris

article

Progeny of tobacco mosaic virus-infected Nicotiana tabacum plants exhibit trans-generational changes in metabolic profiles

article

Protein contact order prediction from primary sequences.

artículo científico publicado en 2008

Proteins: Hormones, Enzymes, and Monoclonal Antibodies—Background

Proteome Analyst: custom predictions with explanations in a web-based tool for high-throughput proteome annotations

artículo científico publicado en 2004

Proteomics and the Human Metabolome Project

article published in 2007

Protocols for NMR Analysis in Livestock Metabolomics

scientific article published on 01 January 2019

Quantitative metabolomics using NMR

Rapid and accurate calculation of protein 1H, 13C and 15N chemical shifts

artículo científico publicado en 2003

Rapid and reliable protein structure determination via chemical shift threading

artículo científico publicado en 2017

Recombinant Incretin-Secreting Microbe Improves Metabolic Dysfunction in High-Fat Diet Fed Rodents

artículo científico publicado en 2017

Recombinant mouse prion protein alone or in combination with lipopolysaccharide alters expression of innate immunity genes in the colon of mice

artículo científico publicado en 2015

Recommendations and Standardization of Biomarker Quantification Using NMR-Based Metabolomics with Particular Focus on Urinary Analysis

artículo científico publicado en 2016

Recommendations for standardizing nomenclature for dietary (poly)phenol catabolites

scientific article published on 16 September 2020

Recommendations of the wwPDB NMR Validation Task Force

artículo científico publicado en 2013

Recommended strategies for spectral processing and post-processing of 1D 1H-NMR data of biofluids with a particular focus on urine.

artículo científico publicado en 2018

RefDB: a database of uniformly referenced protein chemical shifts

artículo científico publicado en 2003

Relative and regional stabilities of the hamster, mouse, rabbit, and bovine prion proteins toward urea unfolding assessed by nuclear magnetic resonance and circular dichroism spectroscopies

artículo científico publicado en 2011

Residue-specific mobility changes in soluble oligomers of the prion protein define regions involved in aggregation

article

Resolution-by-proxy: a simple measure for assessing and comparing the overall quality of NMR protein structures

artículo científico publicado en 2012

Resolution-enhanced native acidic gel electrophoresis: A method for resolving, sizing, and quantifying prion protein oligomers

article published in 2012

Role of polysaccharide and lipid in lipopolysaccharide induced prion protein conversion

artículo científico publicado en 2016

Role of water in ligand binding to maltose-binding protein: insight from a new docking protocol based on the 3D-RISM-KH molecular theory of solvation

artículo científico publicado en 2015

SEQSEE: a comprehensive program suite for protein sequence analysis

article

SHIFTX2: significantly improved protein chemical shift prediction

artículo científico publicado en 2011

SMPDB 2.0: big improvements to the Small Molecule Pathway Database

artículo científico publicado en 2014

SMPDB: The Small Molecule Pathway Database

artículo científico publicado en 2010

SPLASH, a hashed identifier for mass spectra ⬇️

artículo científico publicado en 2016

Salmonella phages and prophages: genomics, taxonomy, and applied aspects

artículo científico publicado en 2015

Serum Metabolite Biomarkers for Predicting Residual Feed Intake (RFI) of Young Angus Bulls

scientific article published on 30 November 2020

Serum metabolic fingerprinting of pre-lameness dairy cows by GC-MS reveals typical profiles that can identify susceptible cows

scientific article published on 14 December 2019

Serum metabolomics identifies metabolite panels that differentiate lame dairy cows from healthy ones

artículo científico publicado en 2020

Shaking alone induces de novo conversion of recombinant prion proteins to β-sheet rich oligomers and fibrils

artículo científico publicado en 2014

Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group

Sildenafil Therapy Normalizes the Aberrant Metabolomic Profile in the Comt(-/-) Mouse Model of Preeclampsia/Fetal Growth Restriction

artículo científico publicado en 2015

Simple techniques for the quantification of protein secondary structure by1H NMR spectroscopy

artículo científico publicado en 1991

Simulating electrical properties of interdigitated electrode designs for impedance-based biosensing applications

Simulations and design of microfabricated interdigitated electrodes for use in a gold nanoparticle enhanced biosensor

artículo científico publicado en 2016

Simulations of Interdigitated Electrode Interactions with Gold Nanoparticles for Impedance-Based Biosensing Applications

artículo científico publicado en 2015

Small molecule inhibitors of ERCC1-XPF protein-protein interaction synergize alkylating agents in cancer cells

artículo científico publicado en 2013

Software Tools for Proteomics Technologies

article

Solid phase synthesis of acylglycine human metabolites

artículo científico publicado en 2009

Solution Structure of MTH0776 from Methanobacterium Thermoautotrophicum

Solution structures of reduced and oxidized bacteriophage T4 glutaredoxin

artículo científico publicado en 2004

Solvent Composition Effects on the Structural Properties of the Aβ42 Monomer from the 3D-RISM-KH Molecular Theory of Solvation

scientific article published on 12 March 2019

Spatiotemporal integration of molecular and anatomical data in virtual reality using semantic mapping

artículo científico publicado en 2009

Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review

artículo científico publicado en 2015

Structural Domains and Main-Chain Flexibility in Prion Proteins†

artículo científico publicado en 2009

Structural and functional characterization of a thioredoxin-like protein (Mt0807) from Methanobacterium thermoautotrophicum

artículo científico publicado en 2003

SuperPose: a simple server for sophisticated structural superposition

artículo científico publicado en 2004

Synthesis and evaluation of keto-glutamine analogues as potent inhibitors of severe acute respiratory syndrome 3CLpro

artículo científico publicado en 2004

Systemic inflammation and metabolic disturbances underlie inpatient mortality among ill children with severe malnutrition

artículo científico publicado en 2022

Systems Biology Resources Arising from the Human Metabolome Project

Systems Biology and Multi-Omics Integration: Viewpoints from the Metabolomics Research Community.

artículo científico publicado en 2019

T3DB: a comprehensively annotated database of common toxins and their targets

artículo científico publicado en 2010

T3DB: the toxic exposome database

artículo científico publicado en 2014

Targeted Metabolic Profiling of Post-Mortem Brain from Infants Who Died from Sudden Infant Death Syndrome.

artículo científico publicado en 2017

Targeted metabolomics highlights perturbed metabolism in the brain of autism spectrum disorder sufferers

artículo científico publicado en 2020

The Bovine Metabolome

artículo científico publicado en 2020

The Bovine Ruminal Fluid Metabolome

article

The Childhood Acute Illness and Nutrition (CHAIN) network nested case-cohort study protocol: a multi-omics approach to understanding mortality among children in sub-Saharan Africa and South Asia

artículo científico publicado en 2022

The CyberCell Database (CCDB): a comprehensive, self-updating, relational database to coordinate and facilitate in silico modeling of Escherichia coli

artículo científico publicado en 2004

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

artículo científico publicado en 2022

The RCI server: rapid and accurate calculation of protein flexibility using chemical shifts

artículo científico publicado en 2007

The Transcriptome of the Implant Biopsy Identifies Donor Kidneys at Increased Risk of Delayed Graft Function

scientific article published on 12 November 2007

The Urinary Metabolome of Healthy Newborns

artículo científico publicado en 2020

The bacterial nanorecorder: engineering E. coli to function as a chemical recording device

artículo científico publicado en 2011

The blood exposome and its role in discovering causes of disease

artículo científico publicado en 2014

The compound (3-{5-[(2,5-dimethoxyphenyl)amino]-1,3,4-thiadiazolidin-2-yl}-5,8-methoxy-2H-chromen-2-one) inhibits the prion protein conversion from PrPC to PrPSc with lower IC50 in ScN2a cells

artículo científico publicado en 2017

The effect of haemolysis on the metabolomic profile of umbilical cord blood

artículo científico publicado en 2015

The food metabolome: a window over dietary exposure

artículo científico publicado en 2014

The future of NMR-based metabolomics

artículo científico publicado en 2016

The human cerebrospinal fluid metabolome

The human saliva metabolome

The human serum metabolome ⬇️

artículo científico publicado en 2011

The human urine metabolome

artículo científico publicado en 2013

The metabolomic profile of umbilical cord blood in neonatal hypoxic ischaemic encephalopathy

artículo científico publicado en 2012

The prion protein binds thiamine

artículo científico publicado en 2011

The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations

scientific article published on 01 October 2019

The role of the Human Metabolome Database in inborn errors of metabolism.

artículo científico publicado en 2018

The use of metabolomics in population-based research

artículo científico publicado en 2014

Tools for Protein Technologies

Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra

artículo científico publicado en 2011

Transcriptional response of E. coli upon FimH-mediated fimbrial adhesion

artículo científico publicado en 2010

Transformation of polyphenols found in pigmented gluten-free flours during in vitro large intestinal fermentation

artículo científico publicado en 2019

Translational biomarker discovery in clinical metabolomics: an introductory tutorial

artículo científico publicado en 2013

Transplant glomerulopathy, late antibody-mediated rejection and the ABCD tetrad in kidney allograft biopsies for cause

artículo científico publicado en 2007

Understanding Clostridium acetobutylicum ATCC 824 Metabolism Using Genome-Scale Thermodynamics and Metabolomics-based Modeling

Unraveling the meaning of chemical shifts in protein NMR.

artículo científico

Unraveling the unknown areas of the human metabolome: the role of infrared ion spectroscopy.

artículo científico publicado en 2018

Urinary Metabolomics for Noninvasive Detection of Antibody-Mediated Rejection in Children After Kidney Transplantation

artículo científico publicado en 2017

Urinary Metabolomics for Noninvasive Detection of Borderline and Acute T Cell-Mediated Rejection in Children After Kidney Transplantation

scientific article published on 19 August 2014

Urinary Organic Acids Increase After Clinical Stabilization of Hospitalized Children With Severe Acute Malnutrition

scientific article published on 14 July 2019

Use of a liposome antigen delivery system to alter immune responses in vivo

artículo científico publicado en 1998

Use of proteinase K nonspecific digestion for selective and comprehensive identification of interpeptide cross-links: application to prion proteins

artículo científico publicado en 2012

Using DrugBank for In Silico Drug Exploration and Discovery

artículo científico publicado en 2016

Using MetaboAnalyst 3.0 for Comprehensive Metabolomics Data Analysis

artículo científico publicado en 2016

Using MetaboAnalyst 4.0 for Comprehensive and Integrative Metabolomics Data Analysis

scientific article published on 01 December 2019

Using isotopically-coded hydrogen peroxide as a surface modification reagent for the structural characterization of prion protein aggregates

Using multiple structural proteomics approaches for the characterization of prion proteins

artículo científico publicado en 2012

VADAR: a web server for quantitative evaluation of protein structure quality

artículo científico publicado en 2003

Validation of metabolomic models for prediction of early-onset preeclampsia

artículo científico publicado en 2015

Validity and utility of urinary CXCL10/Cr immune monitoring in pediatric kidney transplant recipients

artículo científico publicado en 2020

Virtual screening and biological evaluation of inhibitors targeting the XPA-ERCC1 interaction

artículo científico publicado en 2012

Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalyst

artículo científico publicado en 2011

Workshop report: Toward the development of a human whole stool reference material for metabolomic and metagenomic gut microbiome measurements

artículo científico publicado en 2020

YMDB 2.0: a significantly expanded version of the yeast metabolome database.

artículo científico publicado en 2016

YMDB: the Yeast Metabolome Database

artículo científico publicado en 2012

nmrML: a community supported open data standard for the description, storage, and exchange of NMR data

artículo científico publicado en 2017

pE-DB: a database of structural ensembles of intrinsically disordered and of unfolded proteins

artículo científico publicado en 2014

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