A. Gaulton

发表

PSICQUIC and PSISCORE: accessing and scoring molecular interactions

Gary D Bader, John P. Overington, Jules N. A. Kerssemakers, 2011, Nature Methods.

Visualizing the drug target landscape.

S. J. Campbell, A. Gaulton, L. Harland, 2010, Drug discovery today.

Flipping the odds of drug development success through human genomics

John P. Overington, A. Hingorani, A. Gaulton, 2017, bioRxiv.

A comprehensive map of molecular drug targets

Tudor I. Oprea, John P. Overington, B. Al-Lazikani, 2016, Nature Reviews Drug Discovery.

The Global Phosphorylation Landscape of SARS-CoV-2 Infection

Andrew R. Leach, Anna Gaulton, Aurelien Dugourd, 2020, Cell.

Collation and data-mining of literature bioactivity data for drug discovery.

John P. Overington, Anne Hersey, Anna Gaulton, 2011, Biochemical Society transactions.

Visualizing the drug target landscape.

S. J. Campbell, A. Gaulton, L. Harland, 2012, Drug discovery today.

Role of open chemical data in aiding drug discovery and design.

John P. Overington, Anna Gaulton, John P Overington, 2010, Future medicinal chemistry.

"In recent years … there has been a significant increase in the availability of large-scale open data for drug discovery. In particular, the number and size of screening databases has expanded significantly."

A. Gaulton, 2010 .

Validation of lipid-related therapeutic targets for coronary heart disease prevention using human genetics

Tom R. Gaunt, D. Lawlor, A. Hingorani, 2020, Nature Communications.

Transporter taxonomy - a comparison of different transport protein classification schemes.

G. Ecker, A. Gaulton, Daniela Digles, 2014, Drug discovery today. Technologies.

Insights into Transporter Classifications: an Outline of Transporters as Drug Targets

A. Gaulton, Daniela Digles, Michael Viereck, 2017 .

Actionable druggable genome-wide Mendelian randomization identifies repurposing opportunities for COVID-19

Grant D. Huang, Yan V. Sun, J. Danesh, 2020, Nature Medicine.

Chapter 36. The Molecular Basis of Predicting Druggability

John P. Overington, Anna Gaulton, Bissan Al-Lazikani, 2008 .

Illuminating the druggable genome through patent bioactivity data

Tudor I. Oprea, María P. Magariños, T. Oprea, 2022, bioRxiv.

Unexplored therapeutic opportunities in the human genome

Anton Simeonov, Christian von Mering, Tudor I. Oprea, 2018, Nature Reviews Drug Discovery.

The druggable genome and support for target identification and validation in drug development

John P. Overington, Anna Gaulton, Anneli Karlsson, 2016, Science Translational Medicine.

A large-scale dataset of in vivo pharmacology assay results

Anne Hersey, Anna Gaulton, Nicolas Bosc, 2018, Scientific Data.

An open source chemical structure curation pipeline using RDKit

A. Leach, A. Hersey, A. Gaulton, 2020, Journal of Cheminformatics.

ChEMBL: towards direct deposition of bioassay data

Andrew R. Leach, Prudence Mutowo-Meullenet, Anne Hersey, 2018, Nucleic Acids Res..

The ChEMBL database in 2017

George Papadatos, Andrew R. Leach, Prudence Mutowo-Meullenet, 2016, Nucleic Acids Res..

ChEMBL: a large-scale bioactivity database for drug discovery

John P. Overington, Anne Hersey, Anna Gaulton, 2011, Nucleic Acids Res..

Improving the odds of drug development success through human genomics: modelling study

Spiros Denaxas, John P. Overington, Anna Gaulton, 2019, Scientific Reports.

Open Targets: a platform for therapeutic target identification and validation

Gautier Koscielny, Robert Petryszak, Maria Keays, 2016, Nucleic Acids Res..

Pharos: Collating protein information to shed light on the druggable genome

Rajarshi Guha, Tudor I. Oprea, Larry A. Sklar, 2016, Nucleic Acids Res..

The complex portal - an encyclopaedia of macromolecular complexes

Henning Hermjakob, Sameer Velankar, Anna Gaulton, 2014, Nucleic Acids Res..

Minimum information about a bioactive entity (MIABE)

Peter Murray-Rust, John P. Overington, Henning Hermjakob, 2011, Nature Reviews Drug Discovery.

ChEMBL web services: streamlining access to drug discovery data and utilities

George Papadatos, John P. Overington, Mark Davies, 2015, Nucleic Acids Res..

The ChEMBL bioactivity database: an update

George Papadatos, John P. Overington, Mark Davies, 2013, Nucleic Acids Res..

Unexplored therapeutic opportunities in the human genome

Anton Simeonov, Christian von Mering, Tudor I. Oprea, 2018, Nature Reviews Drug Discovery.

UniChem: a unified chemical structure cross-referencing and identifier tracking system

Robert Petryszak, John P. Overington, Mark Davies, 2013, Journal of Cheminformatics.

A retrospective on how the application of data integration and visualisation has been used to connect disparate information sources into a drug-discovery focused, decision making environment. Visualizing the drug target landscape

Anna Gaulton, Jason Marshall, Lee Harland, 2010 .

PRINTS and its automatic supplement, prePRINTS

Terri K. Attwood, Darren R. Flower, Anna Gaulton, 2003, Nucleic Acids Res..

Chemical, Target, and Bioactive Properties of Allosteric Modulation

Gerard J. P. van Westen, John P. Overington, Anna Gaulton, 2014, PLoS Comput. Biol..

Target-based evaluation of ‘drug-like’ properties and ligand efficiencies

A. Leach, A. Hersey, P. Leeson, 2021, Journal of medicinal chemistry.

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Andrew R. Leach, Anne Hersey, Anna Gaulton, 2019, Journal of Cheminformatics.

SureChEMBL: a large-scale, chemically annotated patent document database

George Papadatos, John P. Overington, Mark Davies, 2015, Nucleic Acids Res..

PPDMs—a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains

John P. Overington, Anna Gaulton, Felix A. Krüger, 2014, Bioinform..

Bioinformatics approaches for the classification of G-protein-coupled receptors.

Anna Gaulton, Teresa K Attwood, T. Attwood, 2003, Current opinion in pharmacology.

Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery

Anne Hersey, Anna Gaulton, David Mendez, 2017, Expert opinion on drug discovery.

Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs.

Fiona M. I. Hunter, A. Leach, A. Hersey, 2021, Chemical research in toxicology.

Activity, assay and target data curation and quality in the ChEMBL database

George Papadatos, John P. Overington, Anne Hersey, 2015, Journal of Computer-Aided Molecular Design.

Scientific Lenses to Support Multiple Views over Linked Chemistry Data

Egon L. Willighagen, Chris T. A. Evelo, Christian Y. A. Brenninkmeijer, 2014, SEMWEB.

The EBI RDF platform: linked open data for the life sciences

Andrew M. Jenkinson, Maria Jesus Martin, Nicolas Le Novère, 2014, Bioinform..

PRINTS and PRINTS-S shed light on protein ancestry

Terri K. Attwood, Darren R. Flower, Anna Gaulton, 2002, Nucleic Acids Res..

The Molecular Basis of Predicting Druggability

John P. Overington, Anna Gaulton, G. V. Paolini, 2008 .

UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers

George Papadatos, John P. Overington, Mark Davies, 2014, Journal of Cheminformatics.

Deriving structural and functional insights from a ligand-based hierarchical classification of G protein-coupled receptors.

T K Attwood, T. Attwood, M. Croning, 2002, Protein engineering.

Chemical databases: curation or integration by user-defined equivalence?

John P. Overington, Anne Hersey, Anna Gaulton, 2015, Drug discovery today. Technologies.

A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL

John P. Overington, A. Hersey, J. Lomax, 2016, Journal of Biomedical Semantics.

A large-scale crop protection bioassay data set

George Papadatos, John P. Overington, Mark Davies, 2015, Scientific Data.

Motif3D: relating protein sequence motifs to 3D structure

Terri K. Attwood, Anna Gaulton, T. Attwood, 2003, Nucleic Acids Res..

A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL

Prudence Mutowo-Meullenet, John P. Overington, Anne Hersey, 2016, Journal of Biomedical Semantics.

Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents

George Papadatos, Anna Gaulton, Stefan Senger, 2015, Journal of Cheminformatics.

Transporter assays and assay ontologies: useful tools for drug discovery.

Barbara Zdrazil, John P. Overington, Anna Gaulton, 2014, Drug discovery today. Technologies.

Semantic-Web Access to Patent Annotations

George Papadatos, John P. Overington, Stian Soiland-Reyes, 2015, SWAT4LS.

Functional assignment of MAPK phosphatase domains

Anna Gaulton, Teresa K Attwood, Lydia Tabernero, 2007, Proteins.

Drug target central

Anna Gaulton, Lee Harland, A. Gaulton, 2009, Expert opinion on drug discovery.

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.

María P. Magariños, A. Gaulton, A. P. Bento, 2023, Nucleic acids research.