ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method

ChemProt-2.0: visual navigation in a disease chemical biology database

(2012) Sonny Kim Kjærulff et al.   NUCLEIC ACIDS RESEARCH

SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening

(2011) Xiaofeng Liu et al.   Journal of Chemical Information and Modeling

SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 2. Prospective Case Study in the Discovery of Diverse p90 Ribosomal S6 Protein Kinase 2 Inhibitors To Suppress Cell Migration

(2011) Weiqiang Lu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Chemical Structural Novelty: On-Targets and Off-Targets

(2011) Emmanuel R. Yera et al.   JOURNAL OF MEDICINAL CHEMISTRY

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

wwLigCSRre: a 3D ligand-based server for hit identification and optimization

(2009) O. Sperandio et al.   NUCLEIC ACIDS RESEARCH

Similarity Searching and Scaffold Hopping in Synthetically Accessible Combinatorial Chemistry Spaces

(2008) Markus Boehm et al.   JOURNAL OF MEDICINAL CHEMISTRY

Superimpose: a 3D structural superposition server

(2008) R. A. Bauer et al.   NUCLEIC ACIDS RESEARCH

SuperPred: drug classification and target prediction

(2008) M. Dunkel et al.   NUCLEIC ACIDS RESEARCH