Concepedia

Virtual Screening

Virtual Screening is a computational method in drug discovery that systematically evaluates large libraries of chemical compounds through molecular modeling techniques to prioritize those with the highest predicted affinity for a target biomolecule, distinguishing it from experimental screening by enabling in silico prioritization of potential drug candidates based on structural and physicochemical complementarity.

9.5K

Publications

538.5K

Citations

36.2K

Authors

5.8K

Institutions

Publications per year

2017–2026

5.2K

Variants

In Silico Screening

Parents

Children

Publications

9.5K

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

, , +17

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

Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

Thomas A. Halgren, Robert B. Murphy, Richard A. Friesner et al. · Journal of Medicinal Chemistry · 2004 · 5.2K citations

, , +17

SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules

Antoine Daina, Olivier Michielin, Vincent Zoete · Nucleic Acids Research · 2019 · 4.2K citations · Full text

, , +17

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

1–5 of 9.5K

Authors

36.2K

  1. GS
    Gisbert Schneider

    ETH Zurich, Switzerland

    62 publications · 4.6K citations

    35

    h-index

  2. HJ
    Hualiang Jiang

    Shanghai Institute of Materia Medica, China

    47 publications · 2.9K citations

    33

    h-index

  3. AT
    Alexander Tropsha

    University of North Carolina at Chapel Hill, United States

    40 publications · 5.1K citations

    32

    h-index

  4. TH
    Tingjun Hou

    Zhejiang University, China

    60 publications · 3.4K citations

    32

    h-index

  5. TL
    Thierry Langer

    Universität Innsbruck, Austria

    43 publications · 4.5K citations

    30

    h-index

1–5 of 36.2K

Institutions

5.8K

  1. Centre National de la Recherche Scientifique

    Paris, France

    57 h-index

    184 publications

    12.6K citations

  2. University of California, San Francisco

    San Francisco, United States

    50 h-index

    84 publications

    17.1K citations

  3. University of North Carolina at Chapel Hill

    Chapel Hill, United States

    49 h-index

    89 publications

    11.7K citations

  4. Chinese Academy of Sciences

    Beijing, China

    46 h-index

    181 publications

    8.6K citations

  5. Scripps Research Institute

    San Diego, United States

    41 h-index

    60 publications

    50.6K citations

  6. Inserm

    Paris, France

    41 h-index

    96 publications

    6.7K citations

  7. University of Cambridge

    Cambridge, United Kingdom

    41 h-index

    69 publications

    5.6K citations

  8. Shanghai Institute of Materia Medica

    Pudong, China

    40 h-index

    110 publications

    5.2K citations

1–8 of 5.8K

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 873 publications · 63.7K citations

    111

    h-index

  2. Journal of Medicinal Chemistry

    365 publications · 40.8K citations

    94

    h-index

  3. Journal of Cheminformatics

    144 publications · 10.7K citations

    54

    h-index

  4. Journal of Computer-Aided Molecular Design

    207 publications · 21.2K citations

    52

    h-index

  5. Journal of Biomolecular Structure and Dynamics

    283 publications · 9K citations

    49

    h-index

1–5