Concepedia

Molecular Docking

Molecular Docking is a computational method in structural bioinformatics and drug design that predicts the preferred orientation and binding affinity of a small molecule relative to a target macromolecule, thereby enabling the identification of potential drug candidates by simulating molecular recognition processes.

29.3K

Publications

1.5M

Citations

100.9K

Authors

9.6K

Institutions

Publications per year

2017–2026

16.4K

Variants

Molecular Docking Studies

Parents

Children

Publications

29.3K

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

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

Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky et al. · Journal of Medicinal Chemistry · 2006 · 6.9K citations

, , +16

1–5 of 29.3K

Authors

100.9K

  1. BK
    Brian K. Shoichet

    University of California, San Francisco, United States

    98 publications · 22.9K citations

    61

    h-index

  2. RA
    Ruben Abagyan

    University of California San Diego, United States

    71 publications · 9.1K citations

    45

    h-index

  3. AM
    Alexandre M. J. J. Bonvin

    Utrecht University, Netherlands

    78 publications · 14.7K citations

    42

    h-index

  4. MT
    Muhammad Taha

    University of Karachi, Pakistan

    97 publications · 4.7K citations

    42

    h-index

  5. FR
    Fazal Rahim

    Hazara University, Pakistan

    100 publications · 4.4K citations

    41

    h-index

1–5 of 100.9K

Institutions

9.6K

  1. University of California, San Francisco

    San Francisco, United States

    100 h-index

    263 publications

    50K citations

  2. Scripps Research Institute

    San Diego, United States

    83 h-index

    204 publications

    108.6K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    77 h-index

    589 publications

    30.7K citations

  4. King Saud University

    Riyadh, Saudi Arabia

    71 h-index

    705 publications

    23.6K citations

  5. Howard Hughes Medical Institute

    Chevy Chase, United States

    70 h-index

    140 publications

    18.3K citations

  6. University of California San Diego

    San Diego, United States

    64 h-index

    172 publications

    49.5K citations

  7. Chinese Academy of Sciences

    Beijing, China

    63 h-index

    475 publications

    27.9K citations

  8. Al-Azhar University

    Cairo, Egypt

    63 h-index

    359 publications

    13.8K citations

1–8 of 9.6K

Venues

  1. Journal of Medicinal Chemistry

    1.1K publications · 116.2K citations

    133

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 1K publications · 93.2K citations

    113

    h-index

  3. Proteins Structure Function and Bioinformatics

    505 publications · 48.4K citations

    104

    h-index

  4. Journal of Computer-Aided Molecular Design

    464 publications · 40.8K citations

    80

    h-index

  5. Bioorganic & Medicinal Chemistry Letters

    1.4K publications · 43.9K citations

    76

    h-index

1–5