Molecular Informatics

Cover image for Vol. 31 Issue 6‐7

July 2012

Volume 31, Issue 6-7

Pages 405–514

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Full Papers
    1. Cover Picture: (Mol. Inf. 6-7/2012) (page 405)

      Article first published online: 17 JUL 2012 | DOI: 10.1002/minf.201290009

      Thumbnail image of graphical abstract

      Molecular Informatics publishes research that will deepen our understanding about information storage and processing on the molecular level, signaling and regulation of biological and chemical systems including cellular systems and macromolecular assemblies, modeling of molecular interactions and networks, and the design of molecular modulators that exhibit desired biochemical and pharmacological effects. Various aspects of this transdisciplinary scientific area are depicted on the cover: Cells with their nuclei and membranes (image courtesy of Dr. A. Schreiner and E. Resch), models of receptor-ligand interactions, and an artistic representation of “biological information” as multiple bit-codes presented on a right-handed helix.

  2. Graphical Abstract

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Full Papers
    1. Graphical Abstract: Mol. Inf. 6-7/2012 (pages 407–410)

      Article first published online: 17 JUL 2012 | DOI: 10.1002/minf.201290010

  3. Methods Corner

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Full Papers
    1. Orthogonal PLS (OPLS) Modeling for Improved Analysis and Interpretation in Drug Design (pages 414–419)

      Lennart Eriksson, Josefin Rosén, Erik Johansson and Johan Trygg

      Article first published online: 16 APR 2012 | DOI: 10.1002/minf.201200158

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  4. Full Papers

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Full Papers
    1. Computational Insights into ADAMTS4, ADAMTS5 and MMP13 Inhibitor Selectivity (pages 421–430)

      Federico Filomia, Puneet Saxena, Caterina Durante, Francesca de Rienzo, Marina Cocchi and Maria Cristina Menziani

      Article first published online: 27 JUN 2012 | DOI: 10.1002/minf.201100131

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    2. Fingerprint Kernels for Protein Structure Comparison (pages 443–452)

      Thomas Fober, Marco Mernberger, Gerhard Klebe and Eyke Hüllermeier

      Article first published online: 10 JUL 2012 | DOI: 10.1002/minf.201100149

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    3. QSAR, QSPR and QSRR in Terms of 3-D-MoRSE Descriptors for In Silico Screening of Clofibric Acid Analogues (pages 453–458)

      Maurizio Di Tullio, Cristina Maccallini, Alessandra Ammazzalorso, Letizia Giampietro, Rosa Amoroso, Barbara De Filippis, Marialuigia Fantacuzzi, Paweł Wiczling and Roman Kaliszan

      Article first published online: 27 JUN 2012 | DOI: 10.1002/minf.201200001

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    4. QSPR Approach to Predict Nonadditive Properties of Mixtures. Application to Bubble Point Temperatures of Binary Mixtures of Liquids (pages 491–502)

      I. Oprisiu, E. Varlamova, E. Muratov, A. Artemenko, G. Marcou, P. Polishchuk, V. Kuz'min and A. Varnek

      Article first published online: 6 JUL 2012 | DOI: 10.1002/minf.201200006

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    5. Nearly no Scoring Function Without a Hansch-Analysis (pages 503–507)

      Nadine Schneider, Robert Klein, Gudrun Lange and Matthias Rarey

      Article first published online: 4 JUL 2012 | DOI: 10.1002/minf.201200022

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