Concepedia

Virtual Screening Optimization

Virtual Screening Optimization is a computational methodology aimed at enhancing the efficiency and accuracy of identifying potent bioactive compounds through the systematic refinement of virtual screening protocols, algorithms, or parameters within the context of potency optimization.

705

Publications

27.6K

Citations

4.2K

Authors

1.2K

Institutions

Publications per year

2017–2026

354

Parents

Publications

705

Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19

Yuto Unoh, Shota Uehara, Kenji Nakahara et al. · Journal of Medicinal Chemistry · 2022 · 590 citations · Full text

, , +15

Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring

Huiyong Sun, Youyong Li, Mingyun Shen et al. · Physical Chemistry Chemical Physics · 2014 · 530 citations

, , +16

Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F:  Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery

Tobias Fink, Jean‐Louis Reymond · Journal of Chemical Information and Modeling · 2007 · 452 citations

, , +17

Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease

Mahmoud Kandeel, Mohammed Al‐Nazawi · Life Sciences · 2020 · 429 citations · Full text

, , +11

Virtual Screening for Potential Inhibitors of Human Hexokinase II for the Development of Anti-Dengue Therapeutics

Suriyea Tanbin, Fazia Adyani Ahmad Fuad, Azzmer Azzar Abdul Hamid · BioTech · 2020 · 415 citations · Full text

, , +17

1–5 of 705

Authors

4.2K

  1. HJ
    Hualiang Jiang

    Shanghai Institute of Materia Medica, China

    11 publications · 537 citations

    11

    h-index

  2. CL
    Cheng Luo

    Chinese Academy of Sciences, China

    10 publications · 465 citations

    10

    h-index

  3. LX
    Lei Xu

    Jiangsu University of Technology, China

    7 publications · 665 citations

    7

    h-index

  4. GK
    G. Klebe

    Philipps University of Marburg, Germany

    6 publications · 226 citations

    6

    h-index

  5. GS
    Gisbert Schneider

    ETH Zurich, Switzerland

    6 publications · 167 citations

    6

    h-index

1–5 of 4.2K

Institutions

1.2K

  1. Chinese Academy of Sciences

    Beijing, China

    21 h-index

    201 publications

    7.7K citations

  2. Shanghai Institute of Materia Medica

    Pudong, China

    20 h-index

    180 publications

    8.1K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    13 h-index

    80 publications

    2.7K citations

  4. University of Chinese Academy of Sciences

    Beijing, China

    11 h-index

    27 publications

    819 citations

  5. Inserm

    Paris, France

    10 h-index

    34 publications

    1.2K citations

  6. China Pharmaceutical University

    Nanjing, China

    9 h-index

    42 publications

    749 citations

  7. Zhejiang University

    Hangzhou, China

    8 h-index

    47 publications

    3.3K citations

  8. Sichuan University

    Chengdu, China

    8 h-index

    49 publications

    1.3K citations

1–8 of 1.2K

Venues

  1. Journal of Medicinal Chemistry

    30 publications · 2.2K citations

    26

    h-index

  2. Bioorganic & Medicinal Chemistry

    32 publications · 1.3K citations

    23

    h-index

  3. Bioorganic & Medicinal Chemistry Letters

    37 publications · 1.2K citations

    22

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 29 publications · 1.8K citations

    21

    h-index

  5. European Journal of Medicinal Chemistry

    33 publications · 860 citations

    20

    h-index

1–5