BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology

Connecting proteins with drug-like compounds: Open source drug discovery workflows with BindingDB and KNIME

(2015) George Nicola et al.   Database-The Journal of Biological Databases and Curation

InChI, the IUPAC International Chemical Identifier

(2015) Stephen R Heller et al.   Journal of Cheminformatics

PDB-wide collection of binding data: current status of the PDBbind database

(2014) Zhihai Liu et al.   BIOINFORMATICS

Recent improvements to Binding MOAD: a resource for protein–ligand binding affinities and structures

(2014) Aqeel Ahmed et al.   NUCLEIC ACIDS RESEARCH

The RCSB Protein Data Bank: views of structural biology for basic and applied research and education

(2014) Peter W. Rose et al.   NUCLEIC ACIDS RESEARCH

UniProt: a hub for protein information

(2014)   NUCLEIC ACIDS RESEARCH

DrugBank 4.0: shedding new light on drug metabolism

(2013) Vivian Law et al.   NUCLEIC ACIDS RESEARCH

PubChem BioAssay: 2014 update

(2013) Yanli Wang et al.   NUCLEIC ACIDS RESEARCH

The ChEMBL bioactivity database: an update

(2013) A. Patrícia Bento et al.   NUCLEIC ACIDS RESEARCH

The Reactome pathway knowledgebase

(2013) David Croft et al.   NUCLEIC ACIDS RESEARCH

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

(2013) Jon Chambers et al.   Journal of Cheminformatics

ZINC: A Free Tool to Discover Chemistry for Biology

(2012) John J. Irwin et al.   Journal of Chemical Information and Modeling

Public Domain Databases for Medicinal Chemistry

(2012) George Nicola et al.   JOURNAL OF MEDICINAL CHEMISTRY

Identifying mechanism-of-action targets for drugs and probes

(2012) E. Gregori-Puigjane et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Annotating Cancer Variants and Anti-Cancer Therapeutics in Reactome

(2012) Marija Milacic et al.   Cancers

A Call to Arms: What You Can Do for Computational Drug Discovery

(2011) Heather A. Carlson et al.   Journal of Chemical Information and Modeling

PSICQUIC and PSISCORE: accessing and scoring molecular interactions

(2011) Bruno Aranda et al.   NATURE METHODS

The Reactome BioMart

(2011) R. A. Haw et al.   Database-The Journal of Biological Databases and Curation

Network Systems Biology for Drug Discovery

(2010) D K Arrell et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

Network analyses in systems pharmacology

(2009) S. I. Berger et al.   BIOINFORMATICS

PubChem: a public information system for analyzing bioactivities of small molecules

(2009) Y. Wang et al.   NUCLEIC ACIDS RESEARCH