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  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P60

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  How the methodology of 3D structure preparation influences the quality of QSPR models?

  Stanislav Geidl, Roman Beránek, Radka Svobodová Vařeková, Tomáš Bouchal and Miroslav Brumovský, et al.

  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P61

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  SiteBinder – an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs

  David Sehnal, Radka Svobodová Vařeková, Heinrich J Huber, Stanislav Geidl and Crina-Maria Ionescu, et al.

  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P59

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  Fragment-based identification of multi-target ligands by self-organizing map alignment

  Janosch Achenbach, Franca-Maria Klingler, Steffen Hahn, Svenja Steinbrink and Mirjam Schroeder, et al.

  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P57

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  In silico pK_a prediction

  Robert Körner, Iurii Sushko, Sergii Novotarskyi and Igor V Tetko

  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P55

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  Discovery of novel TLR modulators by Molecular Modeling and Virtual Screening

  Manuela S Murgueitio, Sandra Santos-Sierra and Gerhard Wolber

  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P58

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  From chemical shift data through prediction to assignment and NMR LIMS - multiple functionalities of nmrshiftdb2

  Stefan Kuhn, Nils E Schlörer, Heinz Kolshorn and Raphael Stoll

  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P52

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  Performance of dispersion-corrected density functional theory for thermochemistry and non-covalent interactions

  Waldemar Hujo and Stefan Grimme

  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P56

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  Insights into binding events of GABA- and Tiagabine- analogues in the Gamma-Aminobutyric Acid Transporter 1 by means of Molecular Modelling

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  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P54

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  How often do follow-on activities occur - trends seen in a patent database for GPCRs

  Christian Tyrchan and Sorel Muresan

  Journal of Cheminformatics, 2012, Volume 4, Supplement 1, P51

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