Concepedia

Water-mediated Docking

Water-Mediated Docking is a protein-ligand docking method that explicitly accounts for the role of structurally conserved water molecules in the binding interface to accurately model the molecular recognition process.

55

Publications

3K

Citations

301

Authors

147

Institutions

Publications per year

2017–2026

16

Variants

Hydrated Docking

Parents

Publications

55

Modeling Water Molecules in Protein−Ligand Docking Using GOLD

Marcel L. Verdonk, Gianni Chessari, Jason C. Cole et al. · Journal of Medicinal Chemistry · 2005 · 390 citations

, , +16

Docking Challenge: Protein Sampling and Molecular Docking Performance

Khaled M. Elokely, Robert J. Doerksen · Journal of Chemical Information and Modeling · 2013 · 281 citations · Full text

, , +17

Predicting conserved water-mediated and polar ligand interactions in proteins using a K-nearest-neighbors genetic algorithm

Michael L. Raymer, Paul C. Sanschagrin, William F. Punch et al. · Journal of Molecular Biology · 1997 · 164 citations · Full text

, , +14

Ligand−Protein Docking with Water Molecules

Benjamin C. Roberts, Ricardo L. Mancera · Journal of Chemical Information and Modeling · 2008 · 152 citations

, , +13

Exploiting Ordered Waters in Molecular Docking

Niu Huang, Brian K. Shoichet · Journal of Medicinal Chemistry · 2008 · 125 citations · Full text

, , +13

1–5 of 55

Authors

301

  1. RL
    Ricardo L. Mancera

    Curtin University, Australia

    4 publications · 306 citations

    4

    h-index

  2. MS
    Melanie Schnell

    Deutsches Elektronen-Synchrotron DESY, Germany

    4 publications · 83 citations

    4

    h-index

  3. AM
    Alexandre M. J. J. Bonvin

    Utrecht University, Netherlands

    3 publications · 114 citations

    3

    h-index

  4. PL
    Panagiotis L. Kastritis

    Martin Luther University Halle-Wittenberg, Germany

    3 publications · 114 citations

    3

    h-index

  5. JJ
    Jeffrey J. Gray

    Johns Hopkins University, United States

    3 publications · 103 citations

    3

    h-index

1–5 of 301

Institutions

147

  1. Centre National de la Recherche Scientifique

    Paris, France

    5 h-index

    11 publications

    375 citations

  2. Christian-Albrechts-Universität zu Kiel

    Kiel, Germany

    4 h-index

    7 publications

    182 citations

  3. Deutsches Elektronen-Synchrotron DESY

    Hamburg, Germany

    4 h-index

    14 publications

    298 citations

  4. Johns Hopkins University

    Baltimore, United States

    3 h-index

    16 publications

    504 citations

  5. Curtin University

    Perth, Australia

    3 h-index

    5 publications

    506 citations

  6. University of Washington

    Seattle, United States

    3 h-index

    9 publications

    498 citations

  7. Utrecht University

    Utrecht, The Netherlands

    3 h-index

    11 publications

    491 citations

  8. Lehman College

    New York, United States

    2 h-index

    4 publications

    252 citations

1–8 of 147

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 8 publications · 741 citations

    8

    h-index

  2. Journal of Medicinal Chemistry

    5 publications · 743 citations

    5

    h-index

  3. Proteins Structure Function and Bioinformatics

    5 publications · 153 citations

    5

    h-index

  4. Journal of Molecular Graphics and Modelling

    3 publications · 41 citations

    3

    h-index

  5. Journal of Molecular Modeling

    2 publications · 44 citations

    2

    h-index

1–5