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List of works by John P. Overington

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How many drug targets are there?

scientific article
ChEMBL: a large-scale bioactivity database for drug discovery

scientific article (publication date: 2012)
The ChEMBL database in 2017

scientific article
The genome of the blood fluke Schistosoma mansoni

scientific article
The ChEMBL bioactivity database: an update

scientific article (publication date: 2014)
An atlas of genetic influences on human blood metabolites

scientific article
A comprehensive map of molecular drug targets.

scientific article published on 2 December 2016
The promise and peril of chemical probes

scientific article
JOY: protein sequence-structure representation and analysis.

scientific article
Can we rationally design promiscuous drugs?

scientific article
Genomic-scale prioritization of drug targets: the TDR Targets database

scientific article
Comprehensive characterization of the Published Kinase Inhibitor Set

scientific article
PSICQUIC and PSISCORE: accessing and scoring molecular interactions

scientific article (publication date: 29 June 2011)
Environment-specific amino acid substitution tables: tertiary templates and prediction of protein folds

scientific article published on February 1992
X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes

scientific article
Derivation of rules for comparative protein modeling from a database of protein structure alignments

scientific article
A Structural Basis for Sequence Comparisons

article
Probing the links between in vitro potency, ADMET and physicochemical parameters.

scientific article published on March 2011
ChEMBL web services: streamlining access to drug discovery data and utilities

scientific article
18th Sir Hans Krebs lecture. Knowledge-based protein modelling and design

scientific article published on March 1988
UniChem: a unified chemical structure cross-referencing and identifier tracking system

scientific article (publication date: 14 January 2013)
Alignment and searching for common protein folds using a data bank of structural templates

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

scientific article published on July 23, 2015
From comparisons of protein sequences and structures to protein modelling and design

scientific article published on June 1990
Pharos: Collating protein information to shed light on the druggable genome

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

scientific article published in March 2017
Fragment ranking in modelling of protein structure. Conformationally constrained environmental amino acid substitution tables.

scientific article
Unexplored therapeutic opportunities in the human genome.

scientific article published on 23 February 2018
Modeling alpha-helical transmembrane domains: the calculation and use of substitution tables for lipid-facing residues

scientific article published on January 1993
Minimum information about a bioactive entity (MIABE).

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

scientific article
Comparative modelling of major house dust mite allergen Der p I: structure validation using an extended environmental amino acid propensity table

scientific article published on July 1994
Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation.

scientific article published on 19 August 2010
The Chembl Database: A Taster for Medicinal Chemists

scientific article published on March 1, 2014
Nicastrin, a presenilin-interacting protein, contains an aminopeptidase/transferrin receptor superfamily domain

article
Annotating Human P-Glycoprotein Bioassay Data

scientific article (publication date: August 2012)
Chemical, Target, and Bioactive Properties of Allosteric Modulation

scientific article (publication date: April 2014)
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

scientific article published on 24 September 2013
Molecular recognition in protein families: a database of aligned three-dimensional structures of related proteins

scientific article published on 01 August 1993
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel

scientific article
Target prediction for an open access set of compounds active against Mycobacterium tuberculosis

scientific article (publication date: 2013)
The prediction and orientation of α-helices from sequence alignments: the combined use of environment-dependent substitution tables, Fourier transform methods and helix capping rules

scientific article published on 01 May 1994
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers

scientific article (publication date: December 2014)
Global Analysis of Small Molecule Binding to Related Protein Targets

scientific article published on January 12, 2012
diXa: a data infrastructure for chemical safety assessment

scientific article
Antibody informatics for drug discovery

scientific article published on 8 August 2014
Computational and Practical Aspects of Drug Repositioning

scientific article published on July 1, 2015
Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles

scientific article published on 14 September 2016
PCSK9 monoclonal antibodies for the primary and secondary prevention of cardiovascular disease

scientific article published on 28 April 2017
Chemical databases: curation or integration by user-defined equivalence?

scientific article (publication date: July 2015)

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