Concepedia

Biomolecular Modeling

Biomolecular modeling is a computational discipline that constructs mathematical and algorithmic representations of biological macromolecules to simulate, predict, and analyze their structure, dynamics, and interactions.

13.6K

Publications

1.1M

Citations

37.6K

Authors

5.6K

Institutions

Publications per year

2017–2026

3.2K

Parents

Children

Publications

13.6K

Features and development of <i>Coot</i>

Paul Emsley, Bernhard Lohkamp, W. G. Scott et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 29.6K citations · Full text

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A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

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Crystallography &amp; NMR System: A New Software Suite for Macromolecular Structure Determination

Axel T. Brünger, Paul D. Adams, G. Marius Clore et al. · Acta Crystallographica Section D Biological Crystallography · 1998 · 15.8K citations

, , +17

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

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1–5 of 13.6K

Authors

37.6K

  1. AD
    Alexander D. MacKerell

    University of Maryland, Baltimore, United States

    44 publications · 15.7K citations

    33

    h-index

  2. HA
    Harold A. Scheraga

    Cornell University, United States

    49 publications · 4K citations

    32

    h-index

  3. JA
    J. Andrew McCammon

    University of California San Diego, United States

    49 publications · 14.1K citations

    32

    h-index

  4. MK
    Martin Karplus

    Harvard University, United States

    40 publications · 22.3K citations

    32

    h-index

  5. PA
    Peter A. Kollman

    University of California, San Francisco, United States

    37 publications · 27.1K citations

    31

    h-index

1–5 of 37.6K

Institutions

5.6K

  1. Centre National de la Recherche Scientifique

    Paris, France

    72 h-index

    1.4K publications

    81.5K citations

  2. University of California, San Francisco

    San Francisco, United States

    65 h-index

    319 publications

    220K citations

  3. Stanford University

    Stanford, United States

    62 h-index

    322 publications

    56.9K citations

  4. Howard Hughes Medical Institute

    Chevy Chase, United States

    62 h-index

    253 publications

    114K citations

  5. University of California San Diego

    San Diego, United States

    57 h-index

    348 publications

    50K citations

  6. Harvard University

    Cambridge, United States

    56 h-index

    296 publications

    119.2K citations

  7. National Institutes of Health

    Bethesda, United States

    55 h-index

    363 publications

    103.1K citations

  8. University of Cambridge

    Cambridge, United Kingdom

    55 h-index

    357 publications

    37.3K citations

1–8 of 5.6K

Venues

  1. Journal of the American Chemical Society

    JACS · 331 publications · 41.7K citations

    90

    h-index

  2. Journal of Computational Chemistry

    354 publications · 96.4K citations

    88

    h-index

  3. Journal of Chemical Theory and Computation

    JCTC · 380 publications · 40.9K citations

    88

    h-index

  4. Proceedings of the National Academy of Sciences

    PNAS · 231 publications · 30.3K citations

    87

    h-index

  5. Journal of Molecular Biology

    JMB · 213 publications · 29.5K citations

    81

    h-index

1–5

See also

Biomolecular Modeling

Core Methods

Applications

Limitations

Evaluation

Data Sources