Concepedia

Covalent Docking

Covalent Docking is a molecular docking method that specifically models the formation of covalent bonds between a ligand and a target protein by incorporating reactive bond formation into the docking simulation.

70

Publications

4.4K

Citations

411

Authors

174

Institutions

Publications per year

2017–2026

44

Parents

Publications

70

Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks

Laura Ascherl, Torben Sick, Johannes T. Margraf et al. · Nature Chemistry · 2016 · 536 citations

, , +14

Covalent docking of large libraries for the discovery of chemical probes

Nir London, Rand M. Miller, Shyam Krishnan et al. · Nature Chemical Biology · 2014 · 277 citations · Full text

, , +16

Covalent docking using autodock: Two‐point attractor and flexible side chain methods

Giulia Bianco, Stefano Forli, David S. Goodsell et al. · Protein Science · 2015 · 249 citations · Full text

, , +15

DOCKTITE—A Highly Versatile Step-by-Step Workflow for Covalent Docking and Virtual Screening in the Molecular Operating Environment

Christoph Scholz, Sabine Knorr, Kay Hamacher et al. · Journal of Chemical Information and Modeling · 2014 · 206 citations

, , +17

Towards covalent organic frameworks with predesignable and aligned open docking sites

Xiong Chen, Ning Huang, Jia Gao et al. · Chemical Communications · 2014 · 181 citations

, , +12

1–5 of 70

Authors

411

  1. NL
    Nir London

    Weizmann Institute of Science, Israel

    7 publications · 480 citations

    7

    h-index

  2. BK
    Brian K. Shoichet

    University of California, San Francisco, United States

    5 publications · 451 citations

    5

    h-index

  3. JT
    Jack Taunton

    University of California, San Francisco, United States

    3 publications · 399 citations

    3

    h-index

  4. JJ
    John J. Irwin

    University of California, San Francisco, United States

    3 publications · 399 citations

    3

    h-index

  5. PC
    Patricia C. Babbitt

    University of California, San Francisco, United States

    2 publications · 52 citations

    2

    h-index

1–5 of 411

Institutions

174

  1. University of California, San Francisco

    San Francisco, United States

    5 h-index

    29 publications

    3.3K citations

  2. University of Toronto

    Toronto, Canada

    4 h-index

    7 publications

    923 citations

  3. King Saud University

    Riyadh, Saudi Arabia

    4 h-index

    10 publications

    252 citations

  4. Weizmann Institute of Science

    Rehovot, Israel

    3 h-index

    24 publications

    1.1K citations

  5. University of Alberta

    Edmonton, Canada

    3 h-index

    8 publications

    696 citations

  6. China Pharmaceutical University

    Nanjing, China

    3 h-index

    18 publications

    514 citations

  7. Scripps Research Institute

    San Diego, United States

    3 h-index

    8 publications

    1.1K citations

  8. University of Oxford

    Oxford, United Kingdom

    2 h-index

    2 publications

    116 citations

1–8 of 174

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 9 publications · 723 citations

    9

    h-index

  2. Journal of Biomolecular Structure and Dynamics

    5 publications · 336 citations

    5

    h-index

  3. Journal of Computer-Aided Molecular Design

    4 publications · 129 citations

    4

    h-index

  4. Molecules

    3 publications · 80 citations

    3

    h-index

  5. Future Medicinal Chemistry

    FMC · 3 publications · 82 citations

    3

    h-index

1–5