Journal of Cheminformatics | August 2009 - Browse articles

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August 2009 - Browse articles

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] [Related articles] [Cited on BioMed Central]

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] [Related articles]

Software

Small Molecule Subgraph Detector (SMSD) toolkit
Syed Asad 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] [Related articles]

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