Molecular Informatics

Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Cover image for Vol. 30 Issue 11‐12

December 2011

Volume 30, Issue 11-12

Pages 909–1009

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
    7. Book Review
    1. Cover Picture: (Mol. Inf. 11-12/2011) (page 909)

      Article first published online: 9 DEC 2011 | DOI: 10.1002/minf.201190019

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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. Methods Corner
    5. Communication
    6. Full Papers
    7. Book Review
    1. Graphical Abstract: Mol. Inf. 11-12/2011 (pages 911–914)

      Article first published online: 9 DEC 2011 | DOI: 10.1002/minf.201190020

  3. Methods Corner

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
    7. Book Review
    1. A Microarray Tool Provides Pathway and GO Term Analysis (pages 918–921)

      Martin Koch, Hans-Dieter Royer and Michael Wiese

      Article first published online: 7 SEP 2011 | DOI: 10.1002/minf.201100104

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  4. Communication

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
    7. Book Review
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      Large-Scale Evaluation of CavBase for Analyzing the Polypharmacology of Kinase Inhibitors (pages 923–925)

      Tuomo Kalliokoski and Anna Vulpetti

      Article first published online: 30 NOV 2011 | DOI: 10.1002/minf.201100112

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  5. Full Papers

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
    7. Book Review
    1. A Novel Generalized 3D-QSAR Model of Camptothecin Analogs (pages 927–938)

      Magdalena Bacilieri, Silvia Paoletta, Serena Basili, Marco Fanton and Stefano Moro

      Article first published online: 1 DEC 2011 | DOI: 10.1002/minf.201100060

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    2. Toward an Optimal Approach for Variable Selection in Counter-Propagation Neural Networks: Modeling Protein-Tyrosine Kinase Inhibitory of Flavanoids Using Substituent Electronic Descriptors (pages 939–949)

      Bahram Hemmateenejad , Ahmadreza Mehdipour, Omar Deeb, Mahmood Sanchooli and Ramin Miri

      Article first published online: 15 NOV 2011 | DOI: 10.1002/minf.201100081

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    3. A Role for Hydration in Interleukin-2 Inducible T Cell Kinase (Itk) Selectivity (pages 950–959)

      Ronald M. A. Knegtel and Daniel D. Robinson

      Article first published online: 30 NOV 2011 | DOI: 10.1002/minf.201100086

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    4. Automated QSAR with a Hierarchy of Global and Local Models (pages 960–972)

      David J. Wood, David Buttar, John G. Cumming, Andrew M. Davis, Ulf Norinder and Sarah L. Rodgers

      Article first published online: 15 NOV 2011 | DOI: 10.1002/minf.201100107

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    5. Conformational Properties and Energetic Analysis of Aliskiren in Solution and Receptor Site (pages 973–985)

      Aggeliki Politi , Georgios Leonis, Haralambos Tzoupis , Dimitrios Ntountaniotis, Manthos G. Papadopoulos, Simona Golic Grdadolnik  and Thomas Mavromoustakos 

      Article first published online: 1 DEC 2011 | DOI: 10.1002/minf.201100077

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    6. Blind Dockings of Benzothiazoles to Multiple Receptor Conformations of Triosephosphate Isomerase from Trypanosoma cruzi and Human (pages 986–995)

      Zeynep Kurkcuoglu , Gulgun Ural , E. Demet Akten and Pemra Doruker

      Article first published online: 30 NOV 2011 | DOI: 10.1002/minf.201100109

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    7. Identification and Application of Antitarget Activity Hotspots to Guide Compound Optimization (pages 996–1008)

      Gerhard Hessler, Hans Matter, Friedemann Schmidt, Clemens Giegerich, Li-hsing Wang, Stefan Güssregen and Karl-Heinz Baringhaus

      Article first published online: 1 DEC 2011 | DOI: 10.1002/minf.201100116

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  6. Book Review

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
    7. Book Review
    1. On the “Art” of Virtual Screening (page 1009)

      Gisbert Schneider

      Article first published online: 9 DEC 2011 | DOI: 10.1002/minf.201100001

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