Concepedia

Structure-based Target Discovery

Structure-Based Target Discovery is a computational or experimental method that identifies potential biological targets for a given compound by analyzing its three-dimensional molecular structure in relation to known target binding sites, leveraging structural complementarity to infer target specificity.

143

Publications

8K

Citations

1.1K

Authors

384

Institutions

Publications per year

2017–2026

74

Parents

Publications

143

DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment

Andrea Volkamer, Daniel Kühn, Friedrich Rippmann et al. · Bioinformatics · 2012 · 604 citations · Full text

, , +17

Potent effect of target structure on microRNA function

Dang Long, Rosalind Lee, Peter T. Williams et al. · Nature Structural & Molecular Biology · 2007 · 424 citations

, , +16

Chemical genetic discovery of targets and anti-targets for cancer polypharmacology

Arvin C. Dar, Tirtha K. Das, Kevan M. Shokat et al. · Nature · 2012 · 348 citations

, , +14

Discovery of Small-Molecule Inhibitors of Bcl-2 through Structure-Based Computer Screening

Istvan Enyedy, Yan Ling, Kassoum Nacro et al. · Journal of Medicinal Chemistry · 2001 · 312 citations · Full text

, , +12

Discovery of a Potent Inhibitor of the Antiapoptotic Protein Bcl-x <sub>L</sub> from NMR and Parallel Synthesis

Andrew M. Petros, Jürgen Dinges, David J. Augeri et al. · Journal of Medicinal Chemistry · 2005 · 293 citations

, , +14

1–5 of 143

Authors

1.1K

  1. JJ
    John J. Irwin

    University of California, San Francisco, United States

    7 publications · 851 citations

    7

    h-index

  2. BK
    Brian K. Shoichet

    University of California, San Francisco, United States

    7 publications · 851 citations

    7

    h-index

  3. GS
    Gisbert Schneider

    ETH Zurich, Switzerland

    4 publications · 155 citations

    4

    h-index

  4. YS
    Yurii S. Moroz

    Taras Shevchenko National University of Kyiv, Ukraine

    3 publications · 194 citations

    3

    h-index

  5. DR
    Daniel Reker

    ETH Zurich, Switzerland

    3 publications · 121 citations

    3

    h-index

1–5 of 1.1K

Institutions

384

  1. Chinese Academy of Sciences

    Beijing, China

    13 h-index

    94 publications

    3.6K citations

  2. University of California, San Francisco

    San Francisco, United States

    11 h-index

    63 publications

    5.9K citations

  3. Shanghai Institute of Materia Medica

    Pudong, China

    8 h-index

    85 publications

    3.5K citations

  4. University of Chinese Academy of Sciences

    Beijing, China

    7 h-index

    31 publications

    1.9K citations

  5. Centre National de la Recherche Scientifique

    Paris, France

    5 h-index

    30 publications

    1.1K citations

  6. University of Oxford

    Oxford, United Kingdom

    5 h-index

    18 publications

    865 citations

  7. Icahn School of Medicine at Mount Sinai

    New York, United States

    5 h-index

    21 publications

    2.2K citations

  8. ETH Zurich

    Zurich, Switzerland

    4 h-index

    13 publications

    541 citations

1–8 of 384

Venues

  1. Journal of Medicinal Chemistry

    19 publications · 1.8K citations

    19

    h-index

  2. European Journal of Medicinal Chemistry

    9 publications · 269 citations

    9

    h-index

  3. Bioorganic & Medicinal Chemistry Letters

    5 publications · 134 citations

    5

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 4 publications · 214 citations

    4

    h-index

  5. Proceedings of the National Academy of Sciences

    PNAS · 4 publications · 579 citations

    4

    h-index

1–5