Concepedia

Allosteric Site Docking

Allosteric Site Docking is a computational method in molecular docking informatics that predicts the binding interactions and orientations of ligands specifically at regulatory, non-active sites of proteins to modulate their function through conformational changes.

14

Publications

621

Citations

92

Authors

42

Institutions

Publications per year

2017–2026

4

Parents

Publications

14

Catalysis, Specificity, and ACP Docking Site of Streptomyces coelicolor Malonyl-CoA:ACP Transacylase

Adrian T. Keatinge‐Clay, Anang A. Shelat, David F. Savage et al. · Structure · 2003 · 137 citations · Full text

, , +16

Acetylcholine nicotinic receptors: finding the putative binding site of allosteric modulators using the “blind docking” approach

Bogdan I. Iorga, Denyse Herlem, Elvina Barré et al. · Journal of Molecular Modeling · 2005 · 87 citations · Full text

, , +17

Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease

Nanjie Deng, Stefano Forli, Peng He et al. · The Journal of Physical Chemistry B · 2014 · 83 citations · Full text

, , +17

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

Computational Insights into the Inhibitory Mechanism of Human AKT1 by an Orally Active Inhibitor, MK-2206

Mohd Rehan, M.A. Beg, Shadma Parveen et al. · PLoS ONE · 2014 · 65 citations · Full text

, , +17

1–5 of 14

Authors

92

  1. GA
    Ghazi A. Damanhouri

    King Abdulaziz University, Saudi Arabia

    1 publications · 65 citations

    1

    h-index

  2. LA
    Laura A. Lopez-Garcia

    Saarland University, Germany

    1 publications · 82 citations

    1

    h-index

  3. KB
    Katrien Busschots

    KU Leuven, Belgium

    1 publications · 82 citations

    1

    h-index

  4. YG
    Yueqing Gu

    China Pharmaceutical University, China

    1 publications · 13 citations

    1

    h-index

  5. MB
    M.A. Beg

    University of Wisconsin–Madison, United States

    1 publications · 65 citations

    1

    h-index

1–5 of 92

Institutions

42

  1. City University of New York

    New York, United States

    1 h-index

    5 publications

    415 citations

  2. Universitat Politècnica de València

    Valencia, Spain

    1 h-index

    2 publications

    90 citations

  3. Goethe University Frankfurt

    Frankfurt am Main, Germany

    1 h-index

    9 publications

    738 citations

  4. China Pharmaceutical University

    Nanjing, China

    1 h-index

    7 publications

    91 citations

  5. Institut Pasteur

    Paris, France

    1 h-index

    1 publications

    82 citations

  6. Institut de Chimie des Substances Naturelles

    Gif-sur-Yvette, France

    1 h-index

    4 publications

    348 citations

  7. The Ohio State University

    Columbus, United States

    1 h-index

    2 publications

    38 citations

  8. National Center for Drug Screening

    Shanghai, China

    1 h-index

    3 publications

    39 citations

1–8 of 42

Venues

  1. Journal of Molecular Modeling

    2 publications · 105 citations

    2

    h-index

  2. The Journal of Physical Chemistry B

    1 publications · 83 citations

    1

    h-index

  3. PLoS ONE

    1 publications · 65 citations

    1

    h-index

  4. Current Research in Structural Biology

    1 publications · 15 citations

    1

    h-index

  5. Plant Communications

    1 publications · 45 citations

    1

    h-index

1–5