Volume 27, Issue 1, January 2013

ISSN: 0920-654X (Print) 1573-4951 (Online)

In this issue (8 articles)

  1. No Access

    Perspective

    Inflation of correlation in the pursuit of drug-likeness

    Peter W. Kenny, Carlos A. Montanari Pages 1-13
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  2. No Access

    OriginalPaper

    A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function

    Nadine Schneider, Gudrun Lange, Sally Hindle… Pages 15-29
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  3. No Access

    OriginalPaper

    Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing

    David Zanuy, Francisco J. Sayago… Pages 31-43
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  4. No Access

    OriginalPaper

    Computational study of the effects of protein tyrosine nitrations on the catalytic activity of human thymidylate synthase

    Adam Jarmuła, Wojciech Rode Pages 45-66
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  5. No Access

    OriginalPaper

    Biomacromolecular quantitative structure–activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein–protein binding affinity

    Peng Zhou, Congcong Wang, Feifei Tian… Pages 67-78
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  6. No Access

    OriginalPaper

    Combined use of pharmacophoric models together with drug metabolism and genotoxicity “in silico” studies in the hit finding process

    Ma José Jerez, Miguel Jerez… Pages 79-90
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  7. No Access

    OriginalPaper

    EuLoc: a web-server for accurately predict protein subcellular localization in eukaryotes by incorporating various features of sequence segments into the general form of Chou’s PseAAC

    Tzu-Hao Chang, Li-Ching Wu, Tzong-Yi Lee… Pages 91-103
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  8. Erratum

    Erratum to: Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

    Pavel V. Klimovich, David L. Mobley Page 105
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