LigSearch: a knowledge-based web server to identify likely ligands for a protein target

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

New functional families (FunFams) in CATH to improve the mapping of conserved functional sites to 3D structures

(2012) Ian Sillitoe et al.   NUCLEIC ACIDS RESEARCH

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

(2011) Roman A. Laskowski et al.   Journal of Chemical Information and Modeling

Gene3D: a domain-based resource for comparative genomics, functional annotation and protein network analysis

(2011) J. Lees et al.   NUCLEIC ACIDS RESEARCH

Reorganizing the protein space at the Universal Protein Resource (UniProt)

(2011)   NUCLEIC ACIDS RESEARCH

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

BRENDA, the enzyme information system in 2011

(2010) M. Scheer et al.   NUCLEIC ACIDS RESEARCH

The Pfam protein families database

(2009) Robert D. Finn et al.   NUCLEIC ACIDS RESEARCH

Small Molecule Subgraph Detector (SMSD) toolkit

(2009) Syed Rahman et al.   Journal of Cheminformatics

PDBsum new things

(2008) R. A. Laskowski   NUCLEIC ACIDS RESEARCH