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 Een Web tool voor het genereren van hoge kwaliteit Machine-leesbaar biologische 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
Een Web tool voor het genereren van hoge kwaliteit Machine-leesbaar biologische 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