Concepedia

Protein-ligand Docking

Protein-Ligand Docking is a computational method in structural bioinformatics that predicts the preferred orientation and binding affinity of a small molecule ligand to a target protein receptor through three-dimensional structural analysis.

18.9K

Publications

1.2M

Citations

67.3K

Authors

7.7K

Institutions

Publications per year

2017–2026

8.8K

Parents

Children

Publications

18.9K

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

, , +17

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

, , +13

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

Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

Richard A. Friesner, Jay L. Banks, Robert B. Murphy et al. · Journal of Medicinal Chemistry · 2004 · 9.9K citations

, , +17

1–5 of 18.9K

Authors

67.3K

  1. BK
    Brian K. Shoichet

    University of California, San Francisco, United States

    88 publications · 21K citations

    61

    h-index

  2. RA
    Ruben Abagyan

    University of California San Diego, United States

    72 publications · 8K citations

    41

    h-index

  3. ID
    Irwin D. Kuntz

    University of California, San Francisco, United States

    47 publications · 9.7K citations

    38

    h-index

  4. AM
    Alexandre M. J. J. Bonvin

    Utrecht University, Netherlands

    59 publications · 14.1K citations

    38

    h-index

  5. TH
    Tingjun Hou

    Zhejiang University, China

    62 publications · 7K citations

    37

    h-index

1–5 of 67.3K

Institutions

7.7K

  1. University of California, San Francisco

    San Francisco, United States

    96 h-index

    816 publications

    157.5K citations

  2. Scripps Research Institute

    San Diego, United States

    82 h-index

    629 publications

    398.3K citations

  3. Howard Hughes Medical Institute

    Chevy Chase, United States

    80 h-index

    385 publications

    67.1K citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    76 h-index

    1.4K publications

    76.2K citations

  5. Chinese Academy of Sciences

    Beijing, China

    65 h-index

    1.5K publications

    143.6K citations

  6. Harvard University

    Cambridge, United States

    65 h-index

    382 publications

    44.7K citations

  7. Inserm

    Paris, France

    63 h-index

    569 publications

    45.5K citations

  8. University of California San Diego

    San Diego, United States

    62 h-index

    468 publications

    79K citations

1–8 of 7.7K

Venues

  1. Journal of Medicinal Chemistry

    892 publications · 111.7K citations

    134

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 990 publications · 93.6K citations

    120

    h-index

  3. Proteins Structure Function and Bioinformatics

    443 publications · 48.1K citations

    105

    h-index

  4. Journal of Molecular Biology

    JMB · 208 publications · 36.5K citations

    80

    h-index

  5. Journal of Computer-Aided Molecular Design

    407 publications · 37.1K citations

    77

    h-index

1–5