Research article  

Optimal assignment methods for ligand-based virtual screening

Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell Journal of Cheminformatics 2009, 1:14 (25 August 2009)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

Methodology  

Fast automated placement of polar hydrogen atoms in protein-ligand complexes

Tobias Lippert, Matthias Rarey Journal of Cheminformatics 2009, 1:13 (12 August 2009)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

Software  

Small Molecule Subgraph Detector (SMSD) toolkit

Syed Rahman, Matthew Bashton, Gemma L Holliday, Rainer Schrader, Janet M Thornton Journal of Cheminformatics 2009, 1:12 (10 August 2009)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central