sc-PDB: a 3D-database of ligandable binding sites—10 years on

Activities at the Universal Protein Resource (UniProt)

(2014)   NUCLEIC ACIDS RESEARCH

Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes

(2014) Stefan Bietz et al.   Journal of Cheminformatics

Encoding Protein–Ligand Interaction Patterns in Fingerprints and Graphs

(2013) Jérémy Desaphy et al.   Journal of Chemical Information and Modeling

Polypharmacology – Foe or Friend?

(2013) Jens-Uwe Peters   JOURNAL OF MEDICINAL CHEMISTRY

FireDB: a compendium of biological and pharmacologically relevant ligands

(2013) Paolo Maietta et al.   NUCLEIC ACIDS RESEARCH

PDBe: Protein Data Bank in Europe

(2013) Aleksandras Gutmanas et al.   NUCLEIC ACIDS RESEARCH

Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities

(2013) Sarah Barelier et al.   PLoS One

Comparison and Druggability Prediction of Protein–Ligand Binding Sites from Pharmacophore-Annotated Cavity Shapes

(2012) Jérémy Desaphy et al.   Journal of Chemical Information and Modeling

Development of a Rule-Based Method for the Assessment of Protein Druggability

(2012) Emanuele Perola et al.   Journal of Chemical Information and Modeling

sc-PDB: a database for identifying variations and multiplicity of 'druggable' binding sites in proteins

(2011) J. Meslamani et al.   BIOINFORMATICS

Fragment screening to predict druggability (ligandability) and lead discovery success

(2011) Fredrik N.B. Edfeldt et al.   DRUG DISCOVERY TODAY

DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set

(2011) Agata Krasowski et al.   Journal of Chemical Information and Modeling

Pocketome: an encyclopedia of small-molecule binding sites in 4D

(2011) Irina Kufareva et al.   NUCLEIC ACIDS RESEARCH

PSCDB: a database for protein structural change upon ligand binding

(2011) T. Amemiya et al.   NUCLEIC ACIDS RESEARCH

A Medicinal Chemist’s Guide to Molecular Interactions

(2010) Caterina Bissantz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Quo Vadis, Virtual Screening? A Comprehensive Survey of Prospective Applications

(2010) Peter Ripphausen et al.   JOURNAL OF MEDICINAL CHEMISTRY

Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences for Ligand Optimization

(2009) Julien Michel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Form follows function: Shape analysis of protein cavities for receptor-based drug design

(2009) Martin Weisel et al.   PROTEOMICS