David S Wishart

发表

Using DrugBank for In Silico Drug Exploration and Discovery

David S Wishart, Anthony Wu, D. Wishart, 2016, Current protocols in bioinformatics.

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

David S Wishart, Matthias Lipfert, Manoj Kumar Rout, 2019, Methods in molecular biology.

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

David S Wishart, D. Wishart, 2015, Methods in molecular biology.

DrugBank and its relevance to pharmacogenomics.

David S Wishart, D. Wishart, 2008, Pharmacogenomics.

CEU Mass Mediator 3.0: A Metabolite Annotation Tool.

Abraham Otero, Sergio Saugar, David S Wishart, 2019, Journal of proteome research.

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

David S Wishart, Raúl González-Domínguez, Pol Castellano-Escuder, 2020, Database J. Biol. Databases Curation.

Metabolomic Data Exploration and Analysis with the Human Metabolome Database.

David S Wishart, 2020, Methods in molecular biology.

Solution Structure of MTH0776 from Methanobacterium Thermoautotrophicum

Paul Stothard, David S Wishart, Ekaterina Kuznetsova, 2005, Journal of biomolecular NMR.

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

Xiaoli Dong, Jung Soh, Jianguo Xia, 2009, International journal of nanomedicine.

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

Jianguo Xia, David S Wishart, D. Wishart, 2011, Nature Protocols.

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

Andriy Kovalenko, David S Wishart, Nikolay Blinov, 2019, Journal of Computer-Aided Molecular Design.

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

Carin Li, David S Wishart, Jiamin Zheng, 2019, Metabolites.

Using MetaboAnalyst 3.0 for Comprehensive Metabolomics Data Analysis

Jianguo Xia, David S Wishart, D. Wishart, 2016, Current protocols in bioinformatics.

Dynamic cellular automata : an alternative approach to cellular simulation

Peter Tang, Joseph A. Cruz, David Arndt, 2007 .

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

David S Wishart, 2007, SEB experimental biology series.

Metabolomic Data Processing, Analysis, and Interpretation Using MetaboAnalyst

Jianguo Xia, David S Wishart, D. Wishart, 2011, Current protocols in bioinformatics.

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

David S Wishart, Wayne Materi, D. Wishart, 2007, Drug discovery today.

Computational approaches to metabolomics.

David S Wishart, D. Wishart, 2010, Methods in molecular biology.

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

Rupasri Mandal, David S Wishart, Marie E. Latulippe, 2020, Metabolomics.

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

Yongjie Liang, Ana Marcu, David Arndt, 2019, Briefings Bioinform..

Metabolomic analysis for first-trimester Down syndrome prediction.

Rupasri Mandal, Jianguo Xia, Edison Dong, 2013, American journal of obstetrics and gynecology.

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

David S Wishart, D. Wishart, P. Mercier, 2011, Journal of Biomolecular NMR.

Discovering drug targets through the web.

David S Wishart, D. Wishart, 2007, Comparative biochemistry and physiology. Part D, Genomics & proteomics.

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

David S Wishart, D. Wishart, Yunjun Wang, 2005, Journal of biomolecular NMR.

Computational strategies for metabolite identification in metabolomics.

David S Wishart, D. Wishart, 2009, Bioanalysis.

NMR: prediction of protein flexibility

David S Wishart, Mark Berjanskii, D. Wishart, 2006, Nature Protocols.

Introduction to cheminformatics.

David S Wishart, D. Wishart, 2007, Current protocols in bioinformatics.

The future of NMR-based metabolomics.

Robert Powers, Daniel Raftery, Rafael Brüschweiler, 2017, Current opinion in biotechnology.

NMR Spectroscopy for Metabolomics Research

Daniel Raftery, Edoardo Saccenti, Mariusz Jaremko, 2019, Metabolites.

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

Yongjie Liang, David S Wishart, Mark Berjanskii, 2012, Journal of Biomolecular NMR.

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

David S Wishart, R. Hodges, D. Wishart, 2002, Journal of the American Chemical Society.

nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data.

Christoph Steinbeck, Daniel Schober, Jie Hao, 2018, Analytical chemistry.

A probabilistic approach for validating protein NMR chemical shift assignments

David S Wishart, D. Wishart, Yunjun Wang, 2010, Journal of biomolecular NMR.

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

Sambasivarao Damaraju, Russell Greiner, Roman Eisner, 2012, The Journal of nutrition.

Interpreting protein chemical shift data.

David S Wishart, D. Wishart, 2011, Progress in nuclear magnetic resonance spectroscopy.

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

Paul Stothard, David S Wishart, Zhan Chang, 2004, Journal of biomolecular NMR.

Introduction to Cheminformatics

David S Wishart, D. Wishart, 2016, Current protocols in bioinformatics.

Cancer Metabolomics and the Human Metabolome Database

Rupasri Mandal, Miguel Ramirez-Gaona, David S Wishart, 2016, Metabolites.

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

David S Wishart, Noor E. Hafsa, D. Wishart, 2014, Journal of biomolecular NMR.

Use of Proteinase K Nonspecific Digestion for Selective and Comprehensive Identification of Interpeptide Cross-links: Application to Prion Proteins*

Christoph H Borchers, David S Wishart, Darryl B. Hardie, 2012, Molecular & Cellular Proteomics.

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

David S Wishart, J. Vederas, D. Wishart, 2004, European journal of biochemistry.

Chemical Composition of Commercial Cow's Milk.

Lun Zhang, Rupasri Mandal, David S Wishart, 2019, Journal of agricultural and food chemistry.

RefDB: A database of uniformly referenced protein chemical shifts

David S Wishart, Stephen Neal, D. Wishart, 2003, Journal of biomolecular NMR.

Automated bacterial genome analysis and annotation.

Paul Stothard, David S Wishart, D. Wishart, 2006, Current opinion in microbiology.

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

David S Wishart, D. Wishart, 2008, Methods in molecular biology.

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

Tao Huan, David S Wishart, Jiamin Zheng, 2013, Analytical chemistry.

A simple method to predict protein flexibility using secondary chemical shifts.

David S Wishart, D. Wishart, M. Berjanskii, 2005, Journal of the American Chemical Society.

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

Rupasri Mandal, Farid Aziat, Edison Dong, 2012, Genome Medicine.

Intermolecular transmission of superoxide dismutase 1 misfolding in living cells

David S Wishart, Steven S Plotkin, D. Wishart, 2011, Proceedings of the National Academy of Sciences.

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

David S Wishart, Dan Tzur, D. Wishart, 2008, Nanomedicine.

In Silico Drug Exploration and Discovery Using DrugBank

David S Wishart, D. Wishart, 2007, Current protocols in bioinformatics.

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

Michael Nilges, Sameer Velankar, Torsten Herrmann, 2015, Nature Structural &Molecular Biology.

Improving early drug discovery through ADME modelling: an overview.

David S Wishart, D. Wishart, 2007, Drugs in R&D.

Human Metabolome Database: completing the 'human parts list'.

David S Wishart, D. Wishart, 2007, Pharmacogenomics.

Small Molecule Inhibitors of ERCC1-XPF Protein-Protein Interaction Synergize Alkylating Agents in Cancer Cells

Rolando Perez-Pineiro, David S Wishart, Jack Tuszynski, 2013, Molecular Pharmacology.