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There are 30205 results for: content related to: From Virtual Screening to Bioactive Compounds by Visualizing and Clustering of Chemical Space

  1. Navigation in Chemical Space: Ligand-Based Design of Focused Compound Libraries

    Chemogenomics in Drug Discovery: A Medicinal Chemistry Perspective

    Gisbert Schneider, Petra Schneider, Pages: 341–376, 2005

    Published Online : 12 JUL 2005, DOI: 10.1002/3527603948.ch13

  2. Outstanding challenges in protein–ligand docking and structure-based virtual screening

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 1, Issue 2, March/April 2011, Pages: 229–259, Bohdan Waszkowycz, David E. Clark and Emanuela Gancia

    Version of Record online : 16 MAR 2011, DOI: 10.1002/wcms.18

  3. Lead Identification by Virtual Screening

    Bioinformatics - From Genomes to Therapies

    Andreas Kämper, Didier Rognan, Thomas Lengauer, Pages: 651–704, 2008

    Published Online : 5 FEB 2008, DOI: 10.1002/9783527619368.ch18

  4. You have full text access to this OnlineOpen article
    Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for ‘Orphan’ Molecules

    Molecular Informatics

    Volume 32, Issue 2, February 2013, Pages: 133–138, Michael Reutlinger, Christian P. Koch, Daniel Reker, Nickolay Todoroff, Petra Schneider, Tiago Rodrigues and Gisbert Schneider

    Version of Record online : 7 FEB 2013, DOI: 10.1002/minf.201200141

  5. Scaffold-Hopping: How Far Can You Jump?

    QSAR & Combinatorial Science

    Volume 25, Issue 12, December 2006, Pages: 1162–1171, Gisbert Schneider, Petra Schneider and Steffen Renner

    Version of Record online : 2 NOV 2006, DOI: 10.1002/qsar.200610091

  6. Comparison of Structure- and Ligand-Based Virtual Screening Protocols Considering Hit List Complementarity and Enrichment Factors


    Volume 5, Issue 1, January 4, 2010, Pages: 148–158, Dennis M. Krüger and Andreas Evers

    Version of Record online : 11 NOV 2009, DOI: 10.1002/cmdc.200900314

  7. You have free access to this content
    Streptococcus pneumoniae PBP2x mid-cell localization requires the C-terminal PASTA domains and is essential for cell shape maintenance

    Molecular Microbiology

    Volume 92, Issue 4, May 2014, Pages: 733–755, Katharina Peters, Inga Schweizer, Katrin Beilharz, Christoph Stahlmann, Jan-Willem Veening, Regine Hakenbeck and Dalia Denapaite

    Version of Record online : 17 APR 2014, DOI: 10.1111/mmi.12588

  8. Docking and Scoring Functions/Virtual Screening

    Standard Article

    Burger's Medicinal Chemistry and Drug Discovery

    Christoph Sotriffer, Gerhard Klebe, Martin Stahl and Hans-Joachim Böhm

    Published Online : 15 JAN 2003, DOI: 10.1002/0471266949.bmc007

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    The ExPortal: an organelle dedicated to the biogenesis of secreted proteins in Streptococcus pyogenes

    Molecular Microbiology

    Volume 58, Issue 4, November 2005, Pages: 959–968, Jason W. Rosch and Michael G. Caparon

    Version of Record online : 29 SEP 2005, DOI: 10.1111/j.1365-2958.2005.04887.x

  10. Similarity methods in chemoinformatics

    Annual Review of Information Science and Technology

    Volume 43, Issue 1, 2009, Pages: 1–117, Peter Willett

    Version of Record online : 16 FEB 2011, DOI: 10.1002/aris.2009.1440430108

  11. In Silico Predictions of Drug – Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition – a Comparative Study of Virtual Screening Performance

    Molecular Informatics

    Volume 34, Issue 6-7, June 2015, Pages: 431–457, Teresa Kaserer, Martina Höferl, Klara Müller, Sebastian Elmer, Markus Ganzera, Walter Jäger and Daniela Schuster

    Version of Record online : 23 JUN 2015, DOI: 10.1002/minf.201400192

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    Lipopolysaccharide Increases the Incidence of Collagen-Induced Arthritis in Mice Through Induction of Protease HTRA-1 Expression

    Arthritis & Rheumatism

    Volume 65, Issue 11, November 2013, Pages: 2835–2846, Yuzhu Hou, Haijiang Lin, Linnan Zhu, Zhaoting Liu, Fanlei Hu, Jianfeng Shi, Tao Yang, Xiaoyun Shi, Mingzhao Zhu, Bernard F. Godley, Qiang Wang, Zhanguo Li and Yong Zhao

    Version of Record online : 28 OCT 2013, DOI: 10.1002/art.38124

  13. Pharmacophore-based discovery of inhibitors of a novel drug/proton antiporter in human brain endothelial hCMEC/D3 cell line

    British Journal of Pharmacology

    Volume 172, Issue 20, October 2015, Pages: 4888–4904, Hélène Chapy, Laura Goracci, Philippe Vayer, Yannick Parmentier, Pierre-Alain Carrupt, Xavier Declèves, Jean-Michel Scherrmann, Salvatore Cisternino and Gabriele Cruciani

    Version of Record online : 13 OCT 2015, DOI: 10.1111/bph.13258

  14. You have full text access to this OnlineOpen article
    The HtrA protease of Borrelia burgdorferi degrades outer membrane protein BmpD and chemotaxis phosphatase CheX

    Molecular Microbiology

    Volume 88, Issue 3, May 2013, Pages: 619–633, James L. Coleman, Jameson T. Crowley, Alvaro M. Toledo and Jorge L. Benach

    Version of Record online : 9 APR 2013, DOI: 10.1111/mmi.12213

  15. An Improved Weighted-Residue Profile Based Method of Using Protein–Ligand Interaction Information in Increasing Hits Selection from Virtual Screening: A Study on Virtual Screening of Human GPCR A2A Receptor Antagonists

    Molecular Informatics

    Volume 29, Issue 11, November 15, 2010, Pages: 781–791, Mohammad Shahid, Vinod Kasam and Martin Hofmann-Apitius 

    Version of Record online : 27 OCT 2010, DOI: 10.1002/minf.201000068

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    Ligand-Based Virtual Screening and Molecular Docking Studies to Identify the Critical Chemical Features of Potent Cathepsin D Inhibitors

    Chemical Biology & Drug Design

    Volume 80, Issue 1, July 2012, Pages: 64–79, Sugunadevi Sakkiah, Sundarapandian Thangapandian and Keun Woo Lee

    Version of Record online : 14 MAY 2012, DOI: 10.1111/j.1747-0285.2012.01339.x

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    HtrA is the unique surface housekeeping protease in Lactococcus lactis and is required for natural protein processing

    Molecular Microbiology

    Volume 35, Issue 5, March 2000, Pages: 1042–1051, Isabelle Poquet, Véronique Saint, Erwan Seznec, Nathalie Simoes, Alexander Bolotin and Alexandra Gruss

    Version of Record online : 18 JAN 2002, DOI: 10.1046/j.1365-2958.2000.01757.x

  18. The stability and activity of recombinant Helicobacter pylori HtrA under stress conditions

    Journal of Basic Microbiology

    Volume 53, Issue 5, May 2013, Pages: 402–409, Benjamin Hoy, Hans Brandstetter and Silja Wessler

    Version of Record online : 26 JUN 2012, DOI: 10.1002/jobm.201200074

  19. Pharmacophore alignment search tool: Influence of the third dimension on text-based similarity searching

    Journal of Computational Chemistry

    Volume 32, Issue 8, June 2011, Pages: 1618–1634, Volker Hähnke, Alexander Klenner, Friedrich Rippmann and Gisbert Schneider

    Version of Record online : 15 FEB 2011, DOI: 10.1002/jcc.21742

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    Helicobacter pylori HtrA is a new secreted virulence factor that cleaves E-cadherin to disrupt intercellular adhesion

    EMBO reports

    Volume 11, Issue 10, October 2010, Pages: 798–804, Benjamin Hoy, Martin Löwer, Christiane Weydig, Gert Carra, Nicole Tegtmeyer, Tim Geppert, Peter Schröder, Norbert Sewald, Steffen Backert, Gisbert Schneider and Silja Wessler

    Version of Record online : 3 SEP 2010, DOI: 10.1038/embor.2010.114