Concepedia

Molecular Docking Benchmarking

Molecular Docking Benchmarking is a systematic evaluation framework used to assess and compare the accuracy, reliability, and performance of molecular docking methods by applying standardized test cases, metrics, and reference datasets under controlled conditions.

209

Publications

21.6K

Citations

940

Authors

398

Institutions

Publications per year

2017–2026

120

Parents

Publications

209

Benchmarking Sets for Molecular Docking

Niu Huang, Brian K. Shoichet, John J. Irwin · Journal of Medicinal Chemistry · 2006 · 1.3K citations · Full text

, , +17

Comparative Assessment of Scoring Functions: The CASF-2016 Update

Minyi Su, Qifan Yang, Yu Du et al. · Journal of Chemical Information and Modeling · 2018 · 832 citations

, , +17

GRAMM-X public web server for protein-protein docking

Andrey Tovchigrechko, Ilya A. Vakser · Nucleic Acids Research · 2006 · 817 citations · Full text

, , +17

Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring

Paul D. Lyne, Michelle L. Lamb, Jamal Saeh · Journal of Medicinal Chemistry · 2006 · 705 citations · Full text

, , +17

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids

Sergio Ruiz‐Carmona, Daniel Álvarez-García, Nicolas Foloppe et al. · PLoS Computational Biology · 2014 · 654 citations · Full text

, , +17

1–5 of 209

Authors

940

  1. ZW
    Zhiping Weng

    University of Massachusetts Chan Medical School, United States

    7 publications · 2.5K citations

    7

    h-index

  2. MR
    Matthias R. Bauer

    University of Tübingen, Germany

    5 publications · 403 citations

    5

    h-index

  3. AC
    Alberto Cuzzolin

    University of Padua, Italy

    4 publications · 126 citations

    4

    h-index

  4. AM
    Alexandre M. J. J. Bonvin

    Utrecht University, Netherlands

    4 publications · 821 citations

    4

    h-index

  5. ZL
    Zhihai Liu

    Shanghai Institute of Organic Chemistry, China

    4 publications · 1.8K citations

    4

    h-index

1–5 of 940

Institutions

398

  1. Centre National de la Recherche Scientifique

    Paris, France

    9 h-index

    21 publications

    4K citations

  2. University of California, San Francisco

    San Francisco, United States

    6 h-index

    18 publications

    6.7K citations

  3. Abdul Wali Khan University Mardan

    Mardan, Pakistan

    5 h-index

    14 publications

    321 citations

  4. Chinese Academy of Sciences

    Beijing, China

    5 h-index

    24 publications

    10.1K citations

  5. Boston University

    Boston, United States

    5 h-index

    16 publications

    5K citations

  6. King Saud University

    Riyadh, Saudi Arabia

    5 h-index

    15 publications

    1.5K citations

  7. University of Padua

    Padua, Italy

    4 h-index

    17 publications

    526 citations

  8. University of Pittsburgh

    Pittsburgh, United States

    4 h-index

    8 publications

    414 citations

1–8 of 398

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 28 publications · 4.5K citations

    21

    h-index

  2. Proteins Structure Function and Bioinformatics

    15 publications · 2.9K citations

    14

    h-index

  3. Journal of Molecular Structure

    15 publications · 464 citations

    14

    h-index

  4. Journal of Computer-Aided Molecular Design

    10 publications · 955 citations

    10

    h-index

  5. PLoS ONE

    6 publications · 1K citations

    6

    h-index

1–5