Concepedia

Excluded Volume Modeling

Excluded Volume Modeling is a computational method in pharmacophore modeling that defines regions in three-dimensional space where molecular atoms cannot penetrate due to steric hindrance, thereby refining ligand-receptor interaction predictions by incorporating volume constraints derived from the receptor's shape.

225

Publications

14.3K

Citations

528

Authors

230

Institutions

Publications per year

2017–2026

22

Parents

Children

Publications

225

Estimation of macromolecule concentrations and excluded volume effects for the cytoplasm of Escherichia coli

Steven B. Zimmerman, Stefan O. Trach · Journal of Molecular Biology · 1991 · 1.4K citations

, , +13

Percent buried volume for phosphine and N-heterocyclic carbene ligands: steric properties in organometallic chemistry

Hervé Clavier, Steven P. Nolan · Chemical Communications · 2010 · 1.1K citations

, , +16

Solvent accessible surface area and excluded volume in proteins

Timothy J. Richmond · Journal of Molecular Biology · 1984 · 742 citations

, , +12

3V: cavity, channel and cleft volume calculator and extractor

Neil Voss, Mark Gerstein · Nucleic Acids Research · 2010 · 490 citations · Full text

, , +17

Generalized Born Model with a Simple, Robust Molecular Volume Correction

John Mongan, Carlos Simmerling, J. Andrew McCammon et al. · Journal of Chemical Theory and Computation · 2006 · 449 citations · Full text

, , +17

1–5 of 225

Authors

528

  1. KF
    Karl F. Freed

    University of Chicago, United States

    10 publications · 334 citations

    10

    h-index

  2. HY
    Hiromi Yamakawa

    Kyoto University, Japan

    5 publications · 202 citations

    5

    h-index

  3. MI
    M. I. Gorenstein

    Bogolyubov Institute for Theoretical Physics, Ukraine

    5 publications · 425 citations

    5

    h-index

  4. WH
    W. H. Stockmayer

    Massachusetts Institute of Technology, United States

    4 publications · 335 citations

    4

    h-index

  5. YE
    Yoshiyuki Einaga

    Nara Women's University, Japan

    4 publications · 340 citations

    4

    h-index

1–5 of 528

Institutions

230

  1. University of Chicago

    Chicago, United States

    6 h-index

    10 publications

    218 citations

  2. Goethe University Frankfurt

    Frankfurt am Main, Germany

    6 h-index

    16 publications

    1.6K citations

  3. Bogolyubov Institute for Theoretical Physics

    Kyiv, Ukraine

    5 h-index

    9 publications

    298 citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    5 h-index

    15 publications

    1.3K citations

  5. National Institutes of Health

    Bethesda, United States

    4 h-index

    7 publications

    1.6K citations

  6. University of Pavia

    Pavia, Italy

    4 h-index

    7 publications

    83 citations

  7. Kyoto University

    Kyoto, Japan

    4 h-index

    5 publications

    162 citations

  8. University of Edinburgh

    Edinburgh, United Kingdom

    3 h-index

    7 publications

    381 citations

1–8 of 230

Venues

  1. The Journal of Chemical Physics

    50 publications · 2.1K citations

    27

    h-index

  2. Macromolecules

    27 publications · 1.2K citations

    20

    h-index

  3. Journal of Computational Chemistry

    7 publications · 825 citations

    7

    h-index

  4. Biophysical Journal

    6 publications · 357 citations

    6

    h-index

  5. Physical Chemistry Chemical Physics

    PCCP · 5 publications · 143 citations

    5

    h-index

1–5