Concepedia

Fragment-based Docking

Fragment-Based Docking is a molecular docking informatics method that involves the systematic screening and incremental assembly of small molecular fragments to identify ligand-binding hotspots and construct high-affinity ligand candidates within a target protein's binding site.

112

Publications

9.6K

Citations

596

Authors

234

Institutions

Publications per year

2017–2026

49

Parents

Publications

112

Improved protein–ligand docking using GOLD

Marcel L. Verdonk, Jason C. Cole, Michael J. Hartshorn et al. · Proteins Structure Function and Bioinformatics · 2003 · 3K citations · Full text

, , +17

Ligand and Target Discovery by Fragment-Based Screening in Human Cells

Christopher G. Parker, Andrea Galmozzi, Yujia Wang et al. · Cell · 2017 · 462 citations · Full text

, , +16

Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints

Gilles Marcou, Didier Rognan · Journal of Chemical Information and Modeling · 2006 · 408 citations

, , +17

Fast, accurate, and reliable molecular docking with QuickVina 2

Amr Alhossary, Stephanus Daniel Handoko, Yuguang Mu et al. · Bioinformatics · 2015 · 372 citations · Full text

, , +17

Natural-product-derived fragments for fragment-based ligand discovery

Björn Over, Stefan Wetzel, Christian Grütter et al. · Nature Chemistry · 2012 · 302 citations

, , +14

1–5 of 112

Authors

596

  1. AC
    Amedeo Caflisch

    University of Zurich, Switzerland

    19 publications · 1.1K citations

    19

    h-index

  2. BK
    Brian K. Shoichet

    University of California, San Francisco, United States

    7 publications · 816 citations

    7

    h-index

  3. DH
    Danzhi Huang

    University of Zurich, Switzerland

    6 publications · 484 citations

    6

    h-index

  4. CN
    Cristina Nevado

    University of Zurich, Switzerland

    5 publications · 307 citations

    5

    h-index

  5. JD
    Jing Dong

    Chinese Academy of Fishery Sciences, China

    4 publications · 257 citations

    4

    h-index

1–5 of 596

Institutions

234

  1. University of Zurich

    Zurich, Switzerland

    19 h-index

    75 publications

    4.7K citations

  2. University of California, San Francisco

    San Francisco, United States

    9 h-index

    66 publications

    6K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    4 h-index

    23 publications

    1.3K citations

  4. University of South Florida

    Tampa, United States

    3 h-index

    8 publications

    233 citations

  5. Gedeon Richter (Hungary)

    Budapest, Hungary

    3 h-index

    7 publications

    491 citations

  6. Chinese Academy of Sciences

    Beijing, China

    3 h-index

    3 publications

    100 citations

  7. University of Oxford

    Oxford, United Kingdom

    3 h-index

    31 publications

    3K citations

  8. Scripps Research Institute

    San Diego, United States

    3 h-index

    15 publications

    4K citations

1–8 of 234

Venues

  1. Journal of Medicinal Chemistry

    15 publications · 1.1K citations

    15

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 14 publications · 863 citations

    14

    h-index

  3. Journal of Computer-Aided Molecular Design

    5 publications · 318 citations

    5

    h-index

  4. Molecules

    4 publications · 80 citations

    4

    h-index

  5. International Journal of Molecular Sciences

    IJMS · 3 publications · 33 citations

    3

    h-index

1–5