Molecular Informatics

Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Cover image for Vol. 32 Issue 2

February 2013

Volume 32, Issue 2

Pages 125–229

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Communications
    5. Full Papers
    1. Cover Picture: (Mol. Inf. 2/2013) (page 125)

      Article first published online: 14 FEB 2013 | DOI: 10.1002/minf.201390002

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      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. Communications
    5. Full Papers
    1. Graphical Abstract: Mol. Inf. 2/2013 (pages 127–129)

      Article first published online: 14 FEB 2013 | DOI: 10.1002/minf.201390003

  3. Communications

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Communications
    5. Full Papers
    1. Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for ‘Orphan’ Molecules (pages 133–138)

      Michael Reutlinger, Christian P. Koch, Daniel Reker, Nickolay Todoroff, Petra Schneider, Tiago Rodrigues and Gisbert Schneider

      Article first published online: 7 FEB 2013 | DOI: 10.1002/minf.201200141

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    2. Biomacromolecular 3D-QSAR to Decipher Molecular Herbicide Resistance in Acetohydroxyacid Synthases (pages 139–144)

      Yinwu He, Congwei Niu, Xin Wen and Zhen Xi

      Article first published online: 7 FEB 2013 | DOI: 10.1002/minf.201200144

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  4. Full Papers

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Communications
    5. Full Papers
    1. CORAL: Monte Carlo Method as a Tool for the Prediction of the Bioconcentration Factor of Industrial Pollutants (pages 145–154)

      A. P. Toropova, A. A. Toropov, S. E. Martyanov, E. Benfenati, G. Gini, D. Leszczynska and J. Leszczynski

      Article first published online: 30 NOV 2012 | DOI: 10.1002/minf.201200069

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    2. Evaluation of Adamantane Derivatives as Inhibitors of Dengue Virus mRNA Cap Methyltransferase by Docking and Molecular Dynamics Simulations (pages 155–164)

      Victor Luzhkov, Etienne Decroly, Bruno Canard, Barbara Selisko and Johan Åqvist

      Article first published online: 5 DEC 2012 | DOI: 10.1002/minf.201200107

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    3. Graph-Based Consensus Clustering for Combining Multiple Clusterings of Chemical Structures (pages 165–178)

      Faisal Saeed, Naomie Salim, Ammar Abdo and Hamza Hentabli

      Article first published online: 5 FEB 2013 | DOI: 10.1002/minf.201200110

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    4. Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling (pages 179–190)

      Jaime Pérez-Villanueva, Oscar Méndez-Lucio, Olivia Soria-Arteche, Teresa Izquierdo, M. Concepción Lozada, Walter A. Gloria-Greimel and José L. Medina-Franco

      Article first published online: 10 FEB 2013 | DOI: 10.1002/minf.201200127

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    5. Structure-Activity Relationship Analysis of the Thermal Stabilities of Nitroaromatic Compounds Following Different Decomposition Mechanisms (pages 193–202)

      Jiazhong Li, Huanxiang Liu, Xing Huo and Paola Gramatica

      Article first published online: 7 FEB 2013 | DOI: 10.1002/minf.201200089

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    6. Molecular Dynamics Investigation on the Inhibition of MDM2-p53 Interaction by Polyphenols (pages 203–212)

      Sharad Verma, Amit Singh and Abha Mishra

      Article first published online: 31 JAN 2013 | DOI: 10.1002/minf.201200113

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    7. A Strategy Combining Differential Low-Throughput Screening and Virtual Screening (DLS-VS) Accelerating the Discovery of new Modulators for the Orphan GPR34 Receptor (pages 213–229)

      Constantino Diaz, Christine Labit-Le Bouteiller, Stéphane Yvon, Aimée Cambon-Kernëis, Annette Roasio, Marie-Françoise Jamme, Amélie Aries, Claude Feuillerat, Eric Perret, Fréderique Guette, Pierre Dieu, Brigitte Miloux, Danielle Albène, Nathalie Hasel, Mourad Kaghad, Edgardo Ferran, Jan Lupker and Pascual Ferrara

      Article first published online: 11 FEB 2013 | DOI: 10.1002/minf.201200047

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