David S. Wishart Department of Computer Science University of Alberta Biography Publications Institution JoVE Articles David S. Wishart has not added a biography. If you are David S. Wishart and would like to personalize this page please email our Author Liaison for assistance. Publications GC-MS Metabolomics Identifies Metabolite Alterations That Precede Subclinical Mastitis in the Blood of Transition Dairy Cows Journal of Proteome Research. Feb, 2017 | Pubmed ID: 28152597 Urinary Metabolomics for Noninvasive Detection of Antibody-mediated Rejection in Children After Kidney Transplantation Transplantation. Jan, 2017 | Pubmed ID: 28121909 Exposome-Explorer: a Manually-curated Database on Biomarkers of Exposure to Dietary and Environmental Factors Nucleic Acids Research. Jan, 2017 | Pubmed ID: 27924041 Improved Glucose Homeostasis in Obese Mice Treated With Resveratrol Is Associated With Alterations in the Gut Microbiome Diabetes. Feb, 2017 | Pubmed ID: 27903747 YMDB 2.0: a Significantly Expanded Version of the Yeast Metabolome Database Nucleic Acids Research. Jan, 2017 | Pubmed ID: 27899612 Metabolomic Determination of Pathogenesis of Late-onset Preeclampsia The Journal of Maternal-fetal & Neonatal Medicine : the Official Journal of the European Association of Perinatal Medicine, the Federation of Asia and Oceania Perinatal Societies, the International Society of Perinatal Obstetricians. Mar, 2017 | Pubmed ID: 27569705 Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems Metabolites. Dec, 2016 | Pubmed ID: 27983674 Role of Polysaccharide and Lipid in Lipopolysaccharide Induced Prion Protein Conversion Prion. Nov, 2016 | Pubmed ID: 27906600 ClassyFire: Automated Chemical Classification with a Comprehensive, Computable Taxonomy Journal of Cheminformatics. 2016 | Pubmed ID: 27867422 SPLASH, a Hashed Identifier for Mass Spectra Nature Biotechnology. Nov, 2016 | Pubmed ID: 27824832 Nano-Optomechanical Systems for Gas Chromatography Nano Letters. Nov, 2016 | Pubmed ID: 27749074 Metabolomics Enables Precision Medicine: "A White Paper, Community Perspective" Metabolomics : Official Journal of the Metabolomic Society. 2016 | Pubmed ID: 27642271 Using MetaboAnalyst 3.0 for Comprehensive Metabolomics Data Analysis Current Protocols in Bioinformatics. Sep, 2016 | Pubmed ID: 27603023 The Future of NMR-based Metabolomics Current Opinion in Biotechnology. Aug, 2016 | Pubmed ID: 27580257 Detecting Renal Allograft Inflammation Using Quantitative Urine Metabolomics and CXCL10 Transplantation Direct. Jun, 2016 | Pubmed ID: 27500268 Using DrugBank for In Silico Drug Exploration and Discovery Current Protocols in Bioinformatics. Jun, 2016 | Pubmed ID: 27322405 Heatmapper: Web-enabled Heat Mapping for All Nucleic Acids Research. Jul, 2016 | Pubmed ID: 27190236 PHASTER: a Better, Faster Version of the PHAST Phage Search Tool Nucleic Acids Research. Jul, 2016 | Pubmed ID: 27141966 Introduction to Cheminformatics Current Protocols in Bioinformatics. Mar, 2016 | Pubmed ID: 27010335 Emerging Applications of Metabolomics in Drug Discovery and Precision Medicine Nature Reviews. Drug Discovery. Jul, 2016 | Pubmed ID: 26965202 Cancer Metabolomics and the Human Metabolome Database Metabolites. Mar, 2016 | Pubmed ID: 26950159 Clinical Phenotype Clustering in Cardiovascular Risk Patients for the Identification of Responsive Metabotypes After Red Wine Polyphenol Intake The Journal of Nutritional Biochemistry. Feb, 2016 | Pubmed ID: 26878788 Recommendations and Standardization of Biomarker Quantification Using NMR-Based Metabolomics with Particular Focus on Urinary Analysis Journal of Proteome Research. Feb, 2016 | Pubmed ID: 26745651 Isolation of Soluble ScFv Antibody Fragments Specific for Small Biomarker Molecule, L-Carnitine, Using Phage Display Journal of Immunological Methods. Jan, 2016 | Pubmed ID: 26608419 ECMDB 2.0: A Richer Resource for Understanding the Biochemistry of E. Coli Nucleic Acids Research. Jan, 2016 | Pubmed ID: 26481353 Sildenafil Therapy Normalizes the Aberrant Metabolomic Profile in the Comt(-/-) Mouse Model of Preeclampsia/Fetal Growth Restriction Scientific Reports. Dec, 2015 | Pubmed ID: 26667607 Metabolome Analysis of 20 Taxonomically Related Benzylisoquinoline Alkaloid-producing Plants BMC Plant Biology. Sep, 2015 | Pubmed ID: 26369413 A Robust Algorithm for Optimizing Protein Structures with NMR Chemical Shifts Journal of Biomolecular NMR. Nov, 2015 | Pubmed ID: 26345175 Is Cancer a Genetic Disease or a Metabolic Disease? EBioMedicine. Jun, 2015 | Pubmed ID: 26288805 Correction: Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics PloS One. 2015 | Pubmed ID: 26222058 Validation of Metabolomic Models for Prediction of Early-onset Preeclampsia American Journal of Obstetrics and Gynecology. Oct, 2015 | Pubmed ID: 26116099 Standardizing the Experimental Conditions for Using Urine in NMR-based Metabolomic Studies with a Particular Focus on Diagnostic Studies: a Review Metabolomics : Official Journal of the Metabolomic Society. 2015 | Pubmed ID: 26109927 Accessible Surface Area from NMR Chemical Shifts Journal of Biomolecular NMR. Jul, 2015 | Pubmed ID: 26078090 NMR Exchange Format: a Unified and Open Standard for Representation of NMR Restraint Data Nature Structural & Molecular Biology. Jun, 2015 | Pubmed ID: 26036565 Accurate, Fully-automated NMR Spectral Profiling for Metabolomics PloS One. 2015 | Pubmed ID: 26017271 Metabolomic Fingerprint of Heart Failure with Preserved Ejection Fraction PloS One. 2015 | Pubmed ID: 26010610 CSI 3.0: a Web Server for Identifying Secondary and Super-secondary Structure in Proteins Using NMR Chemical Shifts Nucleic Acids Research. Jul, 2015 | Pubmed ID: 25979265 Pathways with PathWhiz Nucleic Acids Research. Jul, 2015 | Pubmed ID: 25934797 MetaboAnalyst 3.0--making Metabolomics More Meaningful Nucleic Acids Research. Jul, 2015 | Pubmed ID: 25897128 Recombinant Mouse Prion Protein Alone or in Combination with Lipopolysaccharide Alters Expression of Innate Immunity Genes in the Colon of Mice Prion. 2015 | Pubmed ID: 25695140 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 Journal of Chemical Information and Modeling. Feb, 2015 | Pubmed ID: 25545470 Identifying Putative Drug Targets and Potential Drug Leads: Starting Points for Virtual Screening and Docking Methods in Molecular Biology (Clifton, N.J.). 2015 | Pubmed ID: 25330974 Salmonella Phages and Prophages: Genomics, Taxonomy, and Applied Aspects Methods in Molecular Biology (Clifton, N.J.). 2015 | Pubmed ID: 25253259 In Silico Studies and Fluorescence Binding Assays of Potential Anti-prion Compounds Reveal an Important Binding Site for Prion Inhibition from PrP(C) to PrP(Sc) European Journal of Medicinal Chemistry. Feb, 2015 | Pubmed ID: 25042003 The Use of Metabolomics in Population-based Research Advances in Nutrition (Bethesda, Md.). Nov, 2014 | Pubmed ID: 25398741 CSI 2.0: a Significantly Improved Version of the Chemical Shift Index Journal of Biomolecular NMR. Nov, 2014 | Pubmed ID: 25273503 Development of Isotope Labeling Liquid Chromatography Mass Spectrometry for Mouse Urine Metabolomics: Quantitative Metabolomic Study of Transgenic Mice Related to Alzheimer's Disease Journal of Proteome Research. Oct, 2014 | Pubmed ID: 25164377 Shaking Alone Induces De Novo Conversion of Recombinant Prion Proteins to β-sheet Rich Oligomers and Fibrils PloS One. 2014 | Pubmed ID: 24892647 Brassica Villosa, a System for Studying Non-glandular Trichomes and Genes in the Brassicas Plant Molecular Biology. Jul, 2014 | Pubmed ID: 24831512 Lipopolysaccharide Induced Conversion of Recombinant Prion Protein Prion. Mar-Apr, 2014 | Pubmed ID: 24819168 The Food Metabolome: a Window over Dietary Exposure The American Journal of Clinical Nutrition. Jun, 2014 | Pubmed ID: 24760973 Metabolomic Prediction of Fetal Congenital Heart Defect in the First Trimester American Journal of Obstetrics and Gynecology. Sep, 2014 | Pubmed ID: 24704061 Using Isotopically-coded Hydrogen Peroxide As a Surface Modification Reagent for the Structural Characterization of Prion Protein Aggregates Journal of Proteomics. Apr, 2014 | Pubmed ID: 24316355 DrugBank 4.0: Shedding New Light on Drug Metabolism Nucleic Acids Research. Jan, 2014 | Pubmed ID: 24203711 SMPDB 2.0: Big Improvements to the Small Molecule Pathway Database Nucleic Acids Research. Jan, 2014 | Pubmed ID: 24203708 Metabolomic Analysis of Cold Acclimation of Arctic Mesorhizobium Sp. Strain N33 PloS One. 2013 | Pubmed ID: 24386418 Identification and Characterization of ϕH111-1: A Novel Myovirus with Broad Activity Against Clinical Isolates of Burkholderia Cenocepacia Bacteriophage. Oct, 2013 | Pubmed ID: 24265978 Molecular Docking of Thiamine Reveals Similarity in Binding Properties Between the Prion Protein and Other Thiamine-binding Proteins Journal of Molecular Modeling. Dec, 2013 | Pubmed ID: 24126825 Phenol-Explorer 3.0: a Major Update of the Phenol-Explorer Database to Incorporate Data on the Effects of Food Processing on Polyphenol Content Database : the Journal of Biological Databases and Curation. 2013 | Pubmed ID: 24103452 A Simple Method to Measure Protein Side-chain Mobility Using NMR Chemical Shifts Journal of the American Chemical Society. Oct, 2013 | Pubmed ID: 24032347 The Human Urine Metabolome PloS One. 2013 | Pubmed ID: 24023812 Recommendations of the WwPDB NMR Validation Task Force Structure (London, England : 1993). Sep, 2013 | Pubmed ID: 24010715 INMEX--a Web-based Tool for Integrative Meta-analysis of Expression Data Nucleic Acids Research. Jul, 2013 | Pubmed ID: 23766290 Small Molecule Inhibitors of ERCC1-XPF Protein-protein Interaction Synergize Alkylating Agents in Cancer Cells Molecular Pharmacology. Jul, 2013 | Pubmed ID: 23580445 Translational Biomarker Discovery in Clinical Metabolomics: an Introductory Tutorial Metabolomics : Official Journal of the Metabolomic Society. Apr, 2013 | Pubmed ID: 23543913 Metabolomic Analysis for First-trimester Trisomy 18 Detection American Journal of Obstetrics and Gynecology. Jul, 2013 | Pubmed ID: 23535240 Nanopore Analysis of Wild-type and Mutant Prion Protein (PrP(C)): Single Molecule Discrimination and PrP(C) Kinetics PloS One. 2013 | Pubmed ID: 23393562 MyCompoundID: Using an Evidence-based Metabolome Library for Metabolite Identification Analytical Chemistry. Mar, 2013 | Pubmed ID: 23373753 An Improved Method to Detect Correct Protein Folds Using Partial Clustering BMC Bioinformatics. Jan, 2013 | Pubmed ID: 23323835 Metabolomic Analysis for First-trimester Down Syndrome Prediction American Journal of Obstetrics and Gynecology. May, 2013 | Pubmed ID: 23313728 Differential Metabolite Profiles and Salinity Tolerance Between Two Genetically Related Brown-seeded and Yellow-seeded Brassica Carinata Lines Plant Science : an International Journal of Experimental Plant Biology. Jan, 2013 | Pubmed ID: 23199683 HMDB 3.0--The Human Metabolome Database in 2013 Nucleic Acids Research. Jan, 2013 | Pubmed ID: 23161693 First-trimester Metabolomic Detection of Late-onset Preeclampsia American Journal of Obstetrics and Gynecology. Jan, 2013 | Pubmed ID: 23159745 ECMDB: the E. Coli Metabolome Database Nucleic Acids Research. Jan, 2013 | Pubmed ID: 23109553 Using Multiple Structural Proteomics Approaches for the Characterization of Prion Proteins Journal of Proteomics. Apr, 2013 | Pubmed ID: 23085224 Chapter 3: Small Molecules and Disease PLoS Computational Biology. 2012 | Pubmed ID: 23300405 The Metabolomic Profile of Umbilical Cord Blood in Neonatal Hypoxic Ischaemic Encephalopathy PloS One. 2012 | Pubmed ID: 23227182 Resolution-by-proxy: a Simple Measure for Assessing and Comparing the Overall Quality of NMR Protein Structures Journal of Biomolecular NMR. Jul, 2012 | Pubmed ID: 22678091 METAGENassist: a Comprehensive Web Server for Comparative Metagenomics Nucleic Acids Research. Jul, 2012 | Pubmed ID: 22645318 MetaboAnalyst 2.0--a Comprehensive Server for Metabolomic Data Analysis Nucleic Acids Research. Jul, 2012 | Pubmed ID: 22553367 Multi-platform Characterization of the Human Cerebrospinal Fluid Metabolome: a Comprehensive and Quantitative Update Genome Medicine. Apr, 2012 | Pubmed ID: 22546835 Metabolomics and First-trimester Prediction of Early-onset Preeclampsia The Journal of Maternal-fetal & Neonatal Medicine : the Official Journal of the European Association of Perinatal Medicine, the Federation of Asia and Oceania Perinatal Societies, the International Society of Perinatal Obstetricians. Oct, 2012 | Pubmed ID: 22494326 Resolution-enhanced Native Acidic Gel Electrophoresis: a Method for Resolving, Sizing, and Quantifying Prion Protein Oligomers Analytical Biochemistry. Jul, 2012 | Pubmed ID: 22490465 Development of Ecom₅₀ and Retention Index Models for Nontargeted Metabolomics: Identification of 1,3-dicyclohexylurea in Human Serum by HPLC/mass Spectrometry Journal of Chemical Information and Modeling. May, 2012 | Pubmed ID: 22489687 Exploring the Essential Collective Dynamics of Interacting Proteins: Application to Prion Protein Dimers Proteins. Jul, 2012 | Pubmed ID: 22488640 Use of Proteinase K Nonspecific Digestion for Selective and Comprehensive Identification of Interpeptide Cross-links: Application to Prion Proteins Molecular & Cellular Proteomics : MCP. Jul, 2012 | Pubmed ID: 22438564 Discovery of Small Molecule Inhibitors That Interact with γ-tubulin Chemical Biology & Drug Design. May, 2012 | Pubmed ID: 22268380 Prediction of Skeletal Muscle and Fat Mass in Patients with Advanced Cancer Using a Metabolomic Approach The Journal of Nutrition. Jan, 2012 | Pubmed ID: 22157537 BacMap: an Up-to-date Electronic Atlas of Annotated Bacterial Genomes Nucleic Acids Research. Jan, 2012 | Pubmed ID: 22135301 YMDB: the Yeast Metabolome Database Nucleic Acids Research. Jan, 2012 | Pubmed ID: 22064855 The Bacterial Nanorecorder: Engineering E. Coli to Function As a Chemical Recording Device PloS One. 2011 | Pubmed ID: 22132112 Intermolecular Transmission of Superoxide Dismutase 1 Misfolding in Living Cells Proceedings of the National Academy of Sciences of the United States of America. Sep, 2011 | Pubmed ID: 21930926 Comparative Analysis of Essential Collective Dynamics and NMR-derived Flexibility Profiles in Evolutionarily Diverse Prion Proteins Prion. Jul-Sep, 2011 | Pubmed ID: 21869604 The Prion Protein Binds Thiamine The FEBS Journal. Nov, 2011 | Pubmed ID: 21848803 Advances in Metabolite Identification Bioanalysis. Aug, 2011 | Pubmed ID: 21827274 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 Biochemistry. Sep, 2011 | Pubmed ID: 21800884 MetATT: a Web-based Metabolomics Tool for Analyzing Time-series and Two-factor Datasets Bioinformatics (Oxford, England). Sep, 2011 | Pubmed ID: 21712247 PHAST: a Fast Phage Search Tool Nucleic Acids Research. Jul, 2011 | Pubmed ID: 21672955 Web-based Inference of Biological Patterns, Functions and Pathways from Metabolomic Data Using MetaboAnalyst Nature Protocols. Jun, 2011 | Pubmed ID: 21637195 Metabolomic Data Processing, Analysis, and Interpretation Using MetaboAnalyst Current Protocols in Bioinformatics. Jun, 2011 | Pubmed ID: 21633943 SHIFTX2: Significantly Improved Protein Chemical Shift Prediction Journal of Biomolecular NMR. May, 2011 | Pubmed ID: 21448735 Towards Automatic Metabolomic Profiling of High-resolution One-dimensional Proton NMR Spectra Journal of Biomolecular NMR. Apr, 2011 | Pubmed ID: 21360156 The Human Serum Metabolome PloS One. Feb, 2011 | Pubmed ID: 21359215 Interpreting Protein Chemical Shift Data Progress in Nuclear Magnetic Resonance Spectroscopy. Feb, 2011 | Pubmed ID: 21241884 Detailed Biophysical Characterization of the Acid-induced PrP(c) to PrP(β) Conversion Process Biochemistry. Feb, 2011 | Pubmed ID: 21189021 DrugBank 3.0: a Comprehensive Resource for 'omics' Research on Drugs Nucleic Acids Research. Jan, 2011 | Pubmed ID: 21059682 MetPA: a Web-based Metabolomics Tool for Pathway Analysis and Visualization Bioinformatics (Oxford, England). Sep, 2010 | Pubmed ID: 20628077 PROSESS: a Protein Structure Evaluation Suite and Server Nucleic Acids Research. Jul, 2010 | Pubmed ID: 20460469 Transcriptional Response of E. Coli Upon FimH-mediated Fimbrial Adhesion Gene Regulation and Systems Biology. Mar, 2010 | Pubmed ID: 20458372 MSEA: a Web-based Tool to Identify Biologically Meaningful Patterns in Quantitative Metabolomic Data Nucleic Acids Research. Jul, 2010 | Pubmed ID: 20457745 A Probabilistic Approach for Validating Protein NMR Chemical Shift Assignments Journal of Biomolecular NMR. Jun, 2010 | Pubmed ID: 20446018 Computational Approaches to Metabolomics Methods in Molecular Biology (Clifton, N.J.). 2010 | Pubmed ID: 19957155 SMPDB: The Small Molecule Pathway Database Nucleic Acids Research. Jan, 2010 | Pubmed ID: 19948758 T3DB: a Comprehensively Annotated Database of Common Toxins and Their Targets Nucleic Acids Research. Jan, 2010 | Pubmed ID: 19897546 Evidence for Copurification of Micronuclei in Sucrose Density Gradient-enriched Plasma Membranes from Cell Lines Analytical Biochemistry. Jan, 2010 | Pubmed ID: 19699175 Computational Strategies for Metabolite Identification in Metabolomics Bioanalysis. Dec, 2009 | Pubmed ID: 21083105 Solid Phase Synthesis of Acylglycine Human Metabolites Bioorganic & Medicinal Chemistry Letters. Dec, 2009 | Pubmed ID: 19836947 MetaboAnalyst: a Web Server for Metabolomic Data Analysis and Interpretation Nucleic Acids Research. Jul, 2009 | Pubmed ID: 19429898 Spatiotemporal Integration of Molecular and Anatomical Data in Virtual Reality Using Semantic Mapping International Journal of Nanomedicine. 2009 | Pubmed ID: 19421373 GeNMR: a Web Server for Rapid NMR-based Protein Structure Determination Nucleic Acids Research. Jul, 2009 | Pubmed ID: 19406927 Development of a Novel Virtual Screening Cascade Protocol to Identify Potential Trypanothione Reductase Inhibitors Journal of Medicinal Chemistry. Mar, 2009 | Pubmed ID: 19296695 Exploring Human Metabolites Using the Human Metabolome Database Current Protocols in Bioinformatics. Mar, 2009 | Pubmed ID: 19274632 In Silico Identification of Genes in Bacteriophage DNA Methods in Molecular Biology (Clifton, N.J.). 2009 | Pubmed ID: 19082552 HMDB: a Knowledgebase for the Human Metabolome Nucleic Acids Research. Jan, 2009 | Pubmed ID: 18953024 Genomic Sequence and Activity of KS10, a Transposable Phage of the Burkholderia Cepacia Complex BMC Genomics. Dec, 2008 | Pubmed ID: 19094239 MetaboMiner--semi-automated Identification of Metabolites from 2D NMR Spectra of Complex Biofluids BMC Bioinformatics. 2008 | Pubmed ID: 19040747 Applications of Metabolomics in Drug Discovery and Development Drugs in R&D. 2008 | Pubmed ID: 18721000 PSA Fluoroimmunoassays Using Anti-PSA ScFv and Quantum-dot Conjugates Nanomedicine (London, England). Aug, 2008 | Pubmed ID: 18694310 DrugBank and Its Relevance to Pharmacogenomics Pharmacogenomics. Aug, 2008 | Pubmed ID: 18681788 CS23D: a Web Server for Rapid Protein Structure Generation Using NMR Chemical Shifts and Sequence Data Nucleic Acids Research. Jul, 2008 | Pubmed ID: 18515350 Protein Contact Order Prediction from Primary Sequences BMC Bioinformatics. May, 2008 | Pubmed ID: 18513429 The Human Cerebrospinal Fluid Metabolome Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences. Aug, 2008 | Pubmed ID: 18502700 PolySearch: a Web-based Text Mining System for Extracting Relationships Between Human Diseases, Genes, Mutations, Drugs and Metabolites Nucleic Acids Research. Jul, 2008 | Pubmed ID: 18487273 PROTEUS2: a Web Server for Comprehensive Protein Structure Prediction and Structure-based Annotation Nucleic Acids Research. Jul, 2008 | Pubmed ID: 18483082 Identifying Putative Drug Targets and Potential Drug Leads: Starting Points for Virtual Screening and Docking Methods in Molecular Biology (Clifton, N.J.). 2008 | Pubmed ID: 18446295 Metabolomics: a Complementary Tool in Renal Transplantation Contributions to Nephrology. 2008 | Pubmed ID: 18401163 DrugBank: a Knowledgebase for Drugs, Drug Actions and Drug Targets Nucleic Acids Research. Jan, 2008 | Pubmed ID: 18048412 Application of the Random Coil Index to Studying Protein Flexibility Journal of Biomolecular NMR. Jan, 2008 | Pubmed ID: 17985196 PPT-DB: the Protein Property Prediction and Testing Database Nucleic Acids Research. Jan, 2008 | Pubmed ID: 17916570 Discovering Drug Targets Through the Web Comparative Biochemistry and Physiology. Part D, Genomics & Proteomics. Mar, 2007 | Pubmed ID: 20483274 Computational Systems Biology in Cancer: Modeling Methods and Applications Gene Regulation and Systems Biology. Sep, 2007 | Pubmed ID: 19936081 Applications of Machine Learning in Cancer Prediction and Prognosis Cancer Informatics. Feb, 2007 | Pubmed ID: 19458758 In Silico Drug Exploration and Discovery Using DrugBank Current Protocols in Bioinformatics. Jun, 2007 | Pubmed ID: 18428789 Introduction to Cheminformatics Current Protocols in Bioinformatics. Jun, 2007 | Pubmed ID: 18428788 Human Metabolome Database: Completing the 'human Parts List' Pharmacogenomics. Jul, 2007 | Pubmed ID: 18240899 BioSpider: a Web Server for Automating Metabolome Annotations Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing. 2007 | Pubmed ID: 17990488 Improving Early Drug Discovery Through ADME Modelling: an Overview Drugs in R&D. 2007 | Pubmed ID: 17963426 NMR Solution Structures of the Apo and Peptide-inhibited Human Rhinovirus 3C Protease (Serotype 14): Structural and Dynamic Comparison Biochemistry. Nov, 2007 | Pubmed ID: 17944485 Current Progress in Computational Metabolomics Briefings in Bioinformatics. Sep, 2007 | Pubmed ID: 17626065 Drug-target Discovery in Silico: Using the Web to Identify Novel Molecular Targets for Drug Action SEB Experimental Biology Series. 2007 | Pubmed ID: 17608241 Proteomics and the Human Metabolome Project Expert Review of Proteomics. Jun, 2007 | Pubmed ID: 17552914 The RCI Server: Rapid and Accurate Calculation of Protein Flexibility Using Chemical Shifts Nucleic Acids Research. Jul, 2007 | Pubmed ID: 17485469 Computational Systems Biology in Drug Discovery and Development: Methods and Applications Drug Discovery Today. Apr, 2007 | Pubmed ID: 17395089 HMDB: the Human Metabolome Database Nucleic Acids Research. Jan, 2007 | Pubmed ID: 17202168 NMR: Prediction of Protein Flexibility Nature Protocols. 2006 | Pubmed ID: 17406296 Metabolomics in Monitoring Kidney Transplants Current Opinion in Nephrology and Hypertension. Nov, 2006 | Pubmed ID: 17053480 Automated Bacterial Genome Analysis and Annotation Current Opinion in Microbiology. Oct, 2006 | Pubmed ID: 16931121 PREDITOR: a Web Server for Predicting Protein Torsion Angle Restraints Nucleic Acids Research. Jul, 2006 | Pubmed ID: 16845087 Accurate Prediction of Protein Torsion Angles Using Chemical Shifts and Sequence Homology Magnetic Resonance in Chemistry : MRC. Jul, 2006 | Pubmed ID: 16823900 Improving the Accuracy of Protein Secondary Structure Prediction Using Structural Alignment BMC Bioinformatics. Jun, 2006 | Pubmed ID: 16774686 DrugBank: a Comprehensive Resource for in Silico Drug Discovery and Exploration Nucleic Acids Research. Jan, 2006 | Pubmed ID: 16381955 A Simple Method to Predict Protein Flexibility Using Secondary Chemical Shifts Journal of the American Chemical Society. Nov, 2005 | Pubmed ID: 16248604 Solution Structure of MTH0776 from Methanobacterium Thermoautotrophicum Journal of Biomolecular NMR. Sep, 2005 | Pubmed ID: 16222557 BASys: a Web Server for Automated Bacterial Genome Annotation Nucleic Acids Research. Jul, 2005 | Pubmed ID: 15980511 MovieMaker: a Web Server for Rapid Rendering of Protein Motions and Interactions Nucleic Acids Research. Jul, 2005 | Pubmed ID: 15980488 Dynamic Cellular Automata: an Alternative Approach to Cellular Simulation In Silico Biology. 2005 | Pubmed ID: 15972011 Bioinformatics in Drug Development and Assessment Drug Metabolism Reviews. 2005 | Pubmed ID: 15931766 A Simple Method to Adjust Inconsistently Referenced 13C and 15N Chemical Shift Assignments of Proteins Journal of Biomolecular NMR. Feb, 2005 | Pubmed ID: 15772753 Identification of Novel and Known Oocyte-specific Genes Using Complementary DNA Subtraction and Microarray Analysis in Three Different Species Biology of Reproduction. Jul, 2005 | Pubmed ID: 15744023 BacMap: an Interactive Picture Atlas of Annotated Bacterial Genomes Nucleic Acids Research. Jan, 2005 | Pubmed ID: 15608206 PA-GOSUB: a Searchable Database of Model Organism Protein Sequences with Their Predicted Gene Ontology Molecular Function and Subcellular Localization Nucleic Acids Research. Jan, 2005 | Pubmed ID: 15608166 Circular Genome Visualization and Exploration Using CGView Bioinformatics (Oxford, England). Feb, 2005 | Pubmed ID: 15479716 Complete 1H, 13C and 15N NMR Assignments of MTH0776 from Methanobacterium Thermoautotrophicum Journal of Biomolecular NMR. Dec, 2004 | Pubmed ID: 15630567 Synthesis and Evaluation of Keto-glutamine Analogues As Potent Inhibitors of Severe Acute Respiratory Syndrome 3CLpro Journal of Medicinal Chemistry. Dec, 2004 | Pubmed ID: 15566280 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 Biochemistry. Jul, 2004 | Pubmed ID: 15248758 PlasMapper: a Web Server for Drawing and Auto-annotating Plasmid Maps Nucleic Acids Research. Jul, 2004 | Pubmed ID: 15215471 SuperPose: a Simple Server for Sophisticated Structural Superposition Nucleic Acids Research. Jul, 2004 | Pubmed ID: 15215457 Proteome Analyst: Custom Predictions with Explanations in a Web-based Tool for High-throughput Proteome Annotations Nucleic Acids Research. Jul, 2004 | Pubmed ID: 15215412 NMR Solution Structure of the Precursor for Carnobacteriocin B2, an Antimicrobial Peptide from Carnobacterium Piscicola European Journal of Biochemistry. May, 2004 | Pubmed ID: 15096213 Solution Structures of Reduced and Oxidized Bacteriophage T4 Glutaredoxin Journal of Biomolecular NMR. May, 2004 | Pubmed ID: 15017142 GelScape: a Web-based Server for Interactively Annotating, Manipulating, Comparing and Archiving 1D and 2D Gel Images Bioinformatics (Oxford, England). Apr, 2004 | Pubmed ID: 14764570 The CyberCell Database (CCDB): a Comprehensive, Self-updating, Relational Database to Coordinate and Facilitate in Silico Modeling of Escherichia Coli Nucleic Acids Research. Jan, 2004 | Pubmed ID: 14681416 Structural and Functional Characterization of a Thioredoxin-like Protein (Mt0807) from Methanobacterium Thermoautotrophicum Biochemistry. Jul, 2003 | Pubmed ID: 12834352 VADAR: a Web Server for Quantitative Evaluation of Protein Structure Quality Nucleic Acids Research. Jul, 2003 | Pubmed ID: 12824316 Rapid and Accurate Calculation of Protein 1H, 13C and 15N Chemical Shifts Journal of Biomolecular NMR. Jul, 2003 | Pubmed ID: 12766419 Backbone 1H, 15N and 13C Assignments for the Human Rhinovirus 3C Protease (serotype 14) Journal of Biomolecular NMR. May, 2003 | Pubmed ID: 12766405 RefDB: a Database of Uniformly Referenced Protein Chemical Shifts Journal of Biomolecular NMR. Mar, 2003 | Pubmed ID: 12652131 Identification of a Novel Archaebacterial Thioredoxin: Determination of Function Through Structure Biochemistry. Apr, 2002 | Pubmed ID: 11939770 Probing the Structural Determinants of Type II' Beta-turn Formation in Peptides and Proteins Journal of the American Chemical Society. Feb, 2002 | Pubmed ID: 11841288 A Web Tool for Generating High Quality Machine-readable Biological Pathways Miguel Ramirez-Gaona1, Ana Marcu1, Allison Pon1, Jason Grant1, Anthony Wu1, David S. Wishart1,2 1Department of Computer Science, University of Alberta, 2Department of Biological Sciences, University of Alberta JoVE 54869 Biology
A Web Tool for Generating High Quality Machine-readable Biological Pathways Miguel Ramirez-Gaona1, Ana Marcu1, Allison Pon1, Jason Grant1, Anthony Wu1, David S. Wishart1,2 1Department of Computer Science, University of Alberta, 2Department of Biological Sciences, University of Alberta JoVE 54869 Biology