Concepedia

Ligand-protein Docking

Ligand-Protein Docking is a computational method in molecular docking informatics that predicts the three-dimensional binding conformation of a small molecule ligand to a target protein by optimizing intermolecular interactions within a defined binding site.

2K

Publications

168.2K

Citations

7.4K

Authors

2.1K

Institutions

Publications per year

2017–2026

866

Parents

Publications

2K

Accurate structure prediction of biomolecular interactions with AlphaFold 3

Josh Abramson, Jonas Adler, Jack Dunger et al. · Nature · 2024 · 13.8K citations · Full text

, , +12

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

, , +17

AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings

Jérôme Eberhardt, Diogo Santos‐Martins, Andreas F. Tillack et al. · Journal of Chemical Information and Modeling · 2021 · 6.7K citations · Full text

, , +15

Computational protein–ligand docking and virtual drug screening with the AutoDock suite

Stefano Forli, Ruth Huey, Michael E. Pique et al. · Nature Protocols · 2016 · 2.7K citations · Full text

, , +16

Ligand docking and binding site analysis with PyMOL and Autodock/Vina

Daniel Seeliger, Bert L. de Groot · Journal of Computer-Aided Molecular Design · 2010 · 2.6K citations · Full text

, , +14

1–5 of 2K

Authors

7.4K

  1. BK
    Brian K. Shoichet

    University of California, San Francisco, United States

    26 publications · 4.7K citations

    25

    h-index

  2. SF
    Stefano Forli

    Scripps Research Institute, United States

    20 publications · 11.7K citations

    20

    h-index

  3. RA
    Ruben Abagyan

    University of California San Diego, United States

    18 publications · 2.4K citations

    16

    h-index

  4. AJ
    Arthur J. Olson

    Scripps Research Institute, United States

    15 publications · 17.8K citations

    14

    h-index

  5. DS
    Diogo Santos‐Martins

    Scripps Research Institute, United States

    13 publications · 8K citations

    13

    h-index

1–5 of 7.4K

Institutions

2.1K

  1. Scripps Research Institute

    San Diego, United States

    38 h-index

    140 publications

    84.5K citations

  2. University of California, San Francisco

    San Francisco, United States

    30 h-index

    124 publications

    28K citations

  3. University of California San Diego

    San Diego, United States

    24 h-index

    86 publications

    19.7K citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    22 h-index

    126 publications

    6K citations

  5. Chinese Academy of Sciences

    Beijing, China

    18 h-index

    114 publications

    7.1K citations

  6. Howard Hughes Medical Institute

    Chevy Chase, United States

    18 h-index

    44 publications

    10.9K citations

  7. King Saud University

    Riyadh, Saudi Arabia

    18 h-index

    44 publications

    1.7K citations

  8. Boston University

    Boston, United States

    16 h-index

    72 publications

    6.5K citations

1–8 of 2.1K

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 150 publications · 16.9K citations

    55

    h-index

  2. Proteins Structure Function and Bioinformatics

    95 publications · 11.7K citations

    50

    h-index

  3. Journal of Medicinal Chemistry

    78 publications · 12.9K citations

    49

    h-index

  4. Journal of Computational Chemistry

    54 publications · 20.4K citations

    33

    h-index

  5. Journal of Computer-Aided Molecular Design

    54 publications · 8.2K citations

    32

    h-index

1–5