Concepedia

Biomolecular Simulation

Biomolecular Simulation is a computational methodology within molecular simulation that specifically models the structure, dynamics, and interactions of biological macromolecules, such as proteins, nucleic acids, and lipids, at the atomic or molecular level to elucidate their functional mechanisms in physiological or experimental contexts.

1.2K

Publications

268.6K

Citations

3.8K

Authors

1.1K

Institutions

Publications per year

2017–2026

376

Parents

Publications

1.2K

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 26.8K citations · Full text

, , +11

Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text

, , +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

, , +13

Accurate structure prediction of biomolecular interactions with AlphaFold 3

Josh Abramson, Jonas Adler, Jack Dunger et al. · Nature · 2024 · 13.8K citations · Full text

, , +12

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

, , +17

1–5 of 1.2K

Authors

3.8K

  1. WF
    Wilfred F. van Gunsteren

    ETH Zurich, Switzerland

    25 publications · 4.7K citations

    21

    h-index

  2. JC
    J. C. Phillips

    University of Illinois Urbana-Champaign, United States

    21 publications · 22.7K citations

    18

    h-index

  3. ‪J
    ‪Siewert J. Marrink

    University of Groningen, Netherlands

    16 publications · 2.9K citations

    16

    h-index

  4. WI
    Wonpil Im

    Lehigh University, United States

    17 publications · 16.1K citations

    15

    h-index

  5. TS
    Tamar Schlick

    New York University, United States

    16 publications · 1.3K citations

    15

    h-index

1–5 of 3.8K

Institutions

1.1K

  1. Centre National de la Recherche Scientifique

    Paris, France

    26 h-index

    103 publications

    30.9K citations

  2. University of Illinois Urbana-Champaign

    Urbana, United States

    25 h-index

    153 publications

    230.2K citations

  3. Stanford University

    Stanford, United States

    23 h-index

    90 publications

    57.1K citations

  4. University of Groningen

    Groningen, The Netherlands

    23 h-index

    101 publications

    24.1K citations

  5. National Institutes of Health

    Bethesda, United States

    22 h-index

    39 publications

    41.5K citations

  6. University of Oxford

    Oxford, United Kingdom

    22 h-index

    70 publications

    13.9K citations

  7. New York University

    New York, United States

    20 h-index

    62 publications

    8.7K citations

  8. University of California San Diego

    San Diego, United States

    20 h-index

    69 publications

    21.3K citations

1–8 of 1.1K

Venues

  1. Journal of Chemical Theory and Computation

    JCTC · 106 publications · 21K citations

    53

    h-index

  2. Journal of Computational Chemistry

    85 publications · 64.8K citations

    45

    h-index

  3. The Journal of Chemical Physics

    60 publications · 9.8K citations

    36

    h-index

  4. The Journal of Physical Chemistry B

    43 publications · 3.1K citations

    27

    h-index

  5. Journal of Chemical Information and Modeling

    JCIM · 41 publications · 3.8K citations

    26

    h-index

1–5