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Optimal assignment methods for ligand-based virtual screening
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell
J Cheminform. 2009; 1: 14. Published online 2009 August 25. doi: 10.1186/1758-2946-1-14
PMCID:
PMC2820492
Abstract Full Text PDF–4.0M Supplementary Material

Is Cited by the Following 3 Articles in this Archive:

Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-based Pose Scoring and Physical Force Field-based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening
Jui-Hua Hsieh, Shuangye Yin, Xiang S. Wang, Shubin Liu, Nikolay V. Dokholyan, Alexander Tropsha
J Chem Inf Model. Author manuscript; available in PMC 2013 January 23.
Published in final edited form as: J Chem Inf Model. 2012 January 23; 52(1): 16–28. Published online 2011 December 14. doi: 10.1021/ci2002507
PMCID:
PMC3264743
Free in PMC on 2013/01/23
Systematic Exploitation of Multiple Receptor Conformations for Virtual Ligand Screening
Giovanni Bottegoni, Walter Rocchia, Manuel Rueda, Ruben Abagyan, Andrea Cavalli
PLoS One. 2011; 6(5): e18845. Published online 2011 May 17. doi: 10.1371/journal.pone.0018845
PMCID:
PMC3098722
Abstract Full Text PDF–2.1M Supplementary Material
Automatic pharmacophore model generation using weighted substructure assignments
Andreas Jahn, H Planatscher, Georg Hinselmann, Nikolas Fechner, A Zell
J Cheminform. 2010; 2(Suppl 1): P42. Published online 2010 May 4. doi: 10.1186/1758-2946-2-S1-P42
PMCID:
PMC2867177
Full Text PDF–147K
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