Concepedia

Ligand Preparation

Ligand Preparation is a computational preprocessing step in molecular docking informatics that involves the optimization and formatting of small molecule structures into a suitable conformational and chemical state for virtual screening and binding affinity prediction.

2.2K

Publications

106.7K

Citations

9.3K

Authors

2K

Institutions

Publications per year

2017–2026

850

Parents

Publications

2.2K

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day et al. · Journal of Computer-Aided Molecular Design · 2013 · 6K citations

, , +14

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

John J. Irwin, Brian K. Shoichet · Journal of Chemical Information and Modeling · 2004 · 4.1K citations · Full text

, , +15

Computational protein–ligand docking and virtual drug screening with the AutoDock suite

Stefano Forli, Ruth Huey, Michael E. Pique et al. · Nature Protocols · 2016 · 2.7K citations · Full text

, , +16

Discovering High-Affinity Ligands for Proteins: SAR by NMR

Suzanne B. Shuker, Philip J. Hajduk, Robert Meadows et al. · Science · 1996 · 2K citations

, , +14

Using AutoDock for Ligand‐Receptor Docking

Garrett M. Morris, Ruth Huey, Arthur J. Olson · Current Protocols in Bioinformatics · 2008 · 1.2K citations

, , +17

1–5 of 2.2K

Authors

9.3K

  1. NM
    Nashwa M. El‐Metwaly

    Mansoura University, Egypt

    24 publications · 1.1K citations

    20

    h-index

  2. AM
    Ahmed M. Abu‐Dief

    Sohag University, Egypt

    18 publications · 1.6K citations

    18

    h-index

  3. JD
    Jai Devi

    Guru Jambheshwar University of Science and Technology, India

    17 publications · 781 citations

    15

    h-index

  4. AA
    Aly Abdou

    Sohag University, Egypt

    13 publications · 828 citations

    13

    h-index

  5. SA
    Sonika Asija

    Guru Jambheshwar University of Science and Technology, India

    12 publications · 450 citations

    12

    h-index

1–5 of 9.3K

Institutions

2K

  1. Centre National de la Recherche Scientifique

    Paris, France

    36 h-index

    328 publications

    14.5K citations

  2. Sohag University

    Sohag, Egypt

    29 h-index

    100 publications

    7.3K citations

  3. Mansoura University

    Al Mansurah, Egypt

    26 h-index

    81 publications

    2.8K citations

  4. Umm al-Qura University

    Makkah al Mukarramah, Saudi Arabia

    25 h-index

    110 publications

    4.3K citations

  5. King Saud University

    Riyadh, Saudi Arabia

    24 h-index

    70 publications

    2.5K citations

  6. Cairo University

    Giza, Egypt

    24 h-index

    75 publications

    2.8K citations

  7. Guru Jambheshwar University of Science and Technology

    Hisar, India

    21 h-index

    103 publications

    4.2K citations

  8. Chinese Academy of Sciences

    Beijing, China

    21 h-index

    122 publications

    4.7K citations

1–8 of 2K

Venues

  1. Journal of Molecular Structure

    254 publications · 8.6K citations

    48

    h-index

  2. Inorganic Chemistry

    157 publications · 6.3K citations

    44

    h-index

  3. Organometallics

    147 publications · 5.9K citations

    43

    h-index

  4. Dalton Transactions

    102 publications · 3.8K citations

    35

    h-index

  5. Journal of the American Chemical Society

    JACS · 41 publications · 3.9K citations

    32

    h-index

1–5