Concepedia

Allosteric Docking

Allosteric Docking is a computational method in protein-ligand docking that predicts the binding of a ligand to an allosteric site, distinct from the protein's active site, thereby modulating protein function through conformational changes.

4

Publications

127

Citations

19

Authors

7

Institutions

Publications per year

2017–2026

3

Parents

Publications

4

Substrate-Selective Inhibition of Protein Kinase PDK1 by Small Compounds that Bind to the PIF-Pocket Allosteric Docking Site

Katrien Busschots, Laura A. Lopez-Garcia, Carmen Lammi et al. · Chemistry & Biology · 2012 · 82 citations

, , +15

In silico investigations on the binding efficacy and allosteric mechanism of six different natural product compounds towards PTP1B inhibition through docking and molecular dynamics simulations

Baskaran Sarathkumar, Baddireddi Subhadra Lakshmi · Journal of Molecular Modeling · 2019 · 18 citations

, , +17

Retrospective ensemble docking of allosteric modulators in an adenosine G-protein-coupled receptor

Apurba Bhattarai, Jinan Wang, Yinglong Miao · Biochimica et Biophysica Acta (BBA) - General Subjects · 2020 · 17 citations · Full text

, , +16

Computational and synthetic approaches for developing Lavendustin B derivatives as allosteric inhibitors of HIV-1 integrase

Fatima Ezzahra Agharbaoui, Ashley C. Hoyte, Stefania Ferro et al. · European Journal of Medicinal Chemistry · 2016 · 10 citations · Full text

, , +17

CHK1 kinase inhibition: identification of allosteric hits using MD simulations, pharmacophore modeling, docking and MM-PBSA calculations

Nizar A. Al‐Shar’i, Sondos Musleh · Molecular Diversity · 2021 · 10 citations

, , +17

1–5 of 4

Authors

19

  1. SN
    Sonja Neimanis

    Goethe University Frankfurt, Germany

    1 publications · 82 citations

    1

    h-index

  2. JW
    Jinan Wang

    Chinese Academy of Sciences, China

    1 publications · 17 citations

    1

    h-index

  3. LA
    Laura A. Lopez-Garcia

    Saarland University, Germany

    1 publications · 82 citations

    1

    h-index

  4. KB
    Katrien Busschots

    KU Leuven, Belgium

    1 publications · 82 citations

    1

    h-index

  5. AS
    Adriana Stroba

    Saarland University, Germany

    1 publications · 82 citations

    1

    h-index

1–5 of 19

Institutions

7

  1. Saarland University

    Saarbrücken, Germany

    1 h-index

    2 publications

    164 citations

  2. University of Kansas

    Lawrence, United States

    1 h-index

    3 publications

    51 citations

  3. Anna University, Chennai

    Chennai, India

    1 h-index

    2 publications

    36 citations

  4. Institut Pasteur

    Paris, France

    1 h-index

    1 publications

    82 citations

  5. Jordan University of Science and Technology

    Irbid, Jordan

    1 h-index

    2 publications

    20 citations

  6. Goethe University Frankfurt

    Frankfurt am Main, Germany

    1 h-index

    9 publications

    738 citations

  7. University Hospital Frankfurt

    Frankfurt am Main, Germany

    1 h-index

    9 publications

    738 citations

  8. Ospedale SS. Annunziata

    Chieti, Italy

    1 publications

    10 citations

1–8 of 7

Venues

  1. Chemistry & Biology

    1 publications · 82 citations

    1

    h-index

  2. 1

    h-index

  3. Journal of Molecular Modeling

    1 publications · 18 citations

    1

    h-index

  4. Molecular Diversity

    1 publications · 10 citations

    1

    h-index

  5. European Journal of Medicinal Chemistry

    1 publications · 10 citations

1–5