Concepedia

Docking Decoy Generation

Docking Decoy Generation is the computational process of systematically creating structurally plausible but non-native ligand poses within a protein binding site to serve as negative examples for evaluating or training molecular docking algorithms.

64

Publications

9.5K

Citations

231

Authors

120

Institutions

Publications per year

2017–2026

13

Parents

Publications

64

Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

Michael M. Mysinger, Michael Carchia, John J. Irwin et al. · Journal of Medicinal Chemistry · 2012 · 2.4K citations · Full text

, , +17

Benchmarking Sets for Molecular Docking

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

, , +17

Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase

Kirk E. Hevener, Wei Zhao, David M. Ball et al. · Journal of Chemical Information and Modeling · 2009 · 636 citations

, , +17

Assessing Scoring Functions for Protein−Ligand Interactions

Philippe Ferrara, Holger Gohlke, D.J. Price et al. · Journal of Medicinal Chemistry · 2004 · 482 citations

, , +17

Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints

Gilles Marcou, Didier Rognan · Journal of Chemical Information and Modeling · 2006 · 408 citations

, , +17

1–5 of 64

Authors

231

  1. BK
    Brian K. Shoichet

    University of California, San Francisco, United States

    6 publications · 4.8K citations

    6

    h-index

  2. JJ
    John J. Irwin

    University of California, San Francisco, United States

    4 publications · 4.2K citations

    4

    h-index

  3. DK
    Daisuke Kihara

    Purdue University West Lafayette, United States

    4 publications · 261 citations

    4

    h-index

  4. IA
    Ilya A. Vakser

    University of Kansas, United States

    3 publications · 187 citations

    3

    h-index

  5. SL
    Stephan Lorenzen

    Bernhard Nocht Institute for Tropical Medicine, Germany

    3 publications · 118 citations

    3

    h-index

1–5 of 231

Institutions

120

  1. University of California, San Francisco

    San Francisco, United States

    6 h-index

    22 publications

    16.9K citations

  2. University of Kansas

    Lawrence, United States

    5 h-index

    15 publications

    749 citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    5 h-index

    10 publications

    1.2K citations

  4. Purdue University West Lafayette

    West Lafayette, United States

    4 h-index

    19 publications

    1.1K citations

  5. Chinese Academy of Sciences

    Beijing, China

    3 h-index

    6 publications

    166 citations

  6. University of Toronto

    Toronto, Canada

    3 h-index

    9 publications

    195 citations

  7. Indiana University – Purdue University Indianapolis

    Indianapolis, United States

    3 h-index

    8 publications

    305 citations

  8. Indiana University School of Medicine

    Indianapolis, United States

    3 h-index

    8 publications

    305 citations

1–8 of 120

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 15 publications · 2.4K citations

    14

    h-index

  2. Proteins Structure Function and Bioinformatics

    15 publications · 705 citations

    13

    h-index

  3. Bioinformatics

    6 publications · 535 citations

    6

    h-index

  4. Journal of Medicinal Chemistry

    5 publications · 4.8K citations

    5

    h-index

  5. PLoS ONE

    3 publications · 84 citations

    3

    h-index

1–5