Concepedia

All-atom Force Fields

All-Atom Force Fields is a type of molecular mechanics force field that explicitly represents every atom in a molecular system, including hydrogen atoms, and assigns distinct parameters to each atom type, thereby enabling more accurate modeling of molecular structures and interactions compared to coarse-grained approaches.

577

Publications

116.6K

Citations

1.5K

Authors

596

Institutions

Publications per year

2017–2026

97

Variants

All-atom Force Field

Parents

Publications

577

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

, , +17

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

, , +17

CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields

Kenno Vanommeslaeghe, Elizabeth Hatcher, Chitrangada Acharya et al. · Journal of Computational Chemistry · 2009 · 7.5K citations · Full text

, , +17

COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.9K citations

, , +17

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

Jeffery B. Klauda, Richard M. Venable, J. Alfredo Freites et al. · The Journal of Physical Chemistry B · 2010 · 4.7K citations

, , +17

1–5 of 577

Authors

1.5K

  1. AD
    Alexander D. MacKerell

    University of Maryland, Baltimore, United States

    21 publications · 20.9K citations

    20

    h-index

  2. JW
    J. W. Linnett

    University of Cambridge, United Kingdom

    11 publications · 337 citations

    11

    h-index

  3. WL
    William L. Jorgensen

    Yale University, United States

    10 publications · 17.2K citations

    10

    h-index

  4. JW
    Junmei Wang

    University of Pittsburgh, United States

    8 publications · 24.7K citations

    8

    h-index

  5. OG
    Olgun Guvench

    University of Maryland, Baltimore, United States

    8 publications · 9.6K citations

    8

    h-index

1–5 of 1.5K

Institutions

596

  1. University of Maryland, Baltimore

    Baltimore, United States

    20 h-index

    78 publications

    150.7K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    17 h-index

    62 publications

    3.8K citations

  3. ETH Zurich

    Zurich, Switzerland

    12 h-index

    18 publications

    1K citations

  4. University of Cambridge

    Cambridge, United Kingdom

    10 h-index

    15 publications

    728 citations

  5. Yale University

    New Haven, United States

    10 h-index

    29 publications

    51.7K citations

  6. Cornell University

    Ithaca, United States

    10 h-index

    33 publications

    3.4K citations

  7. University of California San Diego

    San Diego, United States

    9 h-index

    20 publications

    1K citations

  8. University of Reading

    Reading, United Kingdom

    9 h-index

    15 publications

    1K citations

1–8 of 596

Venues

  1. The Journal of Physical Chemistry B

    82 publications · 24.5K citations

    48

    h-index

  2. The Journal of Chemical Physics

    58 publications · 4.6K citations

    29

    h-index

  3. Journal of Chemical Theory and Computation

    JCTC · 39 publications · 4.6K citations

    27

    h-index

  4. Journal of Computational Chemistry

    23 publications · 41.7K citations

    23

    h-index

  5. Journal of Molecular Spectroscopy

    27 publications · 1.3K citations

    20

    h-index

1–5