Volume 5, supplement issue 1, March 2013
8th German Conference on Chemoinformatics: 26 CIC-Workshop
- Issue editors
74 articles in this issue
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Protein modeling and molecular dynamic studies of two new surfactant proteins
Authors (first, second and last of 5)
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The MoSGrid - e-science gateway: molecular simulations in a distributed computing environment
Authors (first, second and last of 20)
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How to pick a winning team: approaches towards the selection of computationally derived protein structures for ensemble-based virtual screening
Authors (first, second and last of 4)
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Toxicological knowledge discovery by mining emerging patterns from toxicity data
Authors (first, second and last of 5)
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Theoretical and experimental study of the pH-dependent interaction of amino acids and MFI-type zeolite
Authors (first, second and last of 4)
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Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules
Authors (first, second and last of 11)
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Development of a pharmacorphore model for pharmacological chaperones targeting mutant trafficking-deficient CNG channels
Authors (first, second and last of 7)
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Modifications to glucose-6-phosphate dehydrogenase for industrial applications: predictions and tests
Authors (first, second and last of 4)
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Molecular modelling studies of synthesized pentacyclo-undecane peptides as potential HIV-1 wild type C-SA protease inhibitors
Authors (first, second and last of 5)
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In silico characterization of the motor subunit of the e.coli. restriction-modification system EcoR1241
Authors (first, second and last of 4)
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Molecular simulations of peptides and proteins with Molecular Fragment Dynamics (MFD)
Authors (first, second and last of 5)
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The importance of template choice in homology modeling. A 5-HT6R case study
Authors (first, second and last of 5)
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Annotating targets with pathways: extending approaches to mode of action analysis
Authors (first, second and last of 5)
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MycPermCheck: the Mycobacterium tuberculosispermeability prediction tool for small molecules
Authors (first, second and last of 4)
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Analysis of naphthoquinone derivatives as topoisomerase I inhibitors using fragment based QSAR
Authors (first, second and last of 5)
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Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms
Authors (first, second and last of 4)
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Revised classification of kinases based on bioactivity data: the importance of data density and choice of visualization
Authors (first, second and last of 5)
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Relating GPCRs pharmacological space based on ligands chemical similarities
Authors (first, second and last of 5)
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Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity
Authors (first, second and last of 6)
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Extended graph-based models for enhanced similarity retrieval in Cavbase
Authors (first, second and last of 5)
