Concepedia

Empirical Force Fields

Empirical Force Fields is a computational chemistry model that derives its parameters from experimental data or quantum mechanical calculations to approximate the potential energy surface of molecular systems, distinguishing itself from ab initio methods by relying on empirically fitted functions to describe atomic interactions.

1K

Publications

127.8K

Citations

2.5K

Authors

798

Institutions

Publications per year

2017–2026

157

Variants

Empirical Force Field

Parents

Publications

1K

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

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

, , +14

DREIDING: a generic force field for molecular simulations

Stephen L. Mayo, Barry D. Olafson, William A. Goddard · The Journal of Physical Chemistry · 1990 · 6.5K citations

, , +15

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

<i>PRODRG</i>: a tool for high-throughput crystallography of protein–ligand complexes

Alexander W. Schüttelkopf, Daan M. F. van Aalten · Acta Crystallographica Section D Biological Crystallography · 2004 · 4.8K citations · Full text

, , +16

1–5 of 1K

Authors

2.5K

  1. AD
    Alexander D. MacKerell

    University of Maryland, Baltimore, United States

    33 publications · 9.9K citations

    30

    h-index

  2. PP
    Péter Pulay

    University of Arkansas at Fayetteville, United States

    13 publications · 2.9K citations

    12

    h-index

  3. PH
    Pavel Hobza

    Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry, Czechia

    11 publications · 1.1K citations

    11

    h-index

  4. SK
    S. Krimm

    University of Michigan, United States

    11 publications · 517 citations

    11

    h-index

  5. JW
    J. W. Linnett

    University of Cambridge, United Kingdom

    11 publications · 411 citations

    11

    h-index

1–5 of 2.5K

Institutions

798

  1. University of Maryland, Baltimore

    Baltimore, United States

    29 h-index

    85 publications

    22.6K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    21 h-index

    77 publications

    4.5K citations

  3. Newcastle University

    Newcastle upon Tyne, United Kingdom

    13 h-index

    22 publications

    1.4K citations

  4. University of Michigan

    Ann Arbor, United States

    12 h-index

    27 publications

    1.2K citations

  5. Ames Research Center

    Mountain View, United States

    12 h-index

    17 publications

    1K citations

  6. University of Helsinki

    Helsinki, Finland

    12 h-index

    34 publications

    2.2K citations

  7. University of California, Irvine

    Irvine, United States

    12 h-index

    39 publications

    2K citations

  8. University of Aberdeen

    Aberdeen, United Kingdom

    12 h-index

    26 publications

    1K citations

1–8 of 798

Venues

  1. The Journal of Chemical Physics

    105 publications · 6.5K citations

    45

    h-index

  2. Journal of the American Chemical Society

    JACS · 63 publications · 24.8K citations

    44

    h-index

  3. Journal of Computational Chemistry

    59 publications · 28.2K citations

    35

    h-index

  4. The Journal of Physical Chemistry B

    57 publications · 9.5K citations

    34

    h-index

  5. Journal of Chemical Theory and Computation

    JCTC · 50 publications · 4.3K citations

    33

    h-index

1–5