David S. Wishart

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--der Menschlichen Metabolom Datenbank Im Jahr 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: Eine Aktuelle Elektronische Atlas Kommentierte Bakteriellen Genome
  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 Identifizierung Von Genen in Bakteriophage 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: Ein Web-Server Für Die Automatische Bakterielle Genom-Annotation
  Nucleic Acids Research. Jul, 2005  |   Pubmed ID: 15980511
• MovieMaker: Ein Web-Server Für Die Schnelle Darstellung Von Protein-Bewegungen Und Interaktionen
  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: Ein Interaktiver Bildatlas Der Kommentierten Bakterielle Genome
  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
• Überlagern: Eine Einfache Server Für Anspruchsvolle Strukturelle Überlagerung
  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