Concepedia

Energy Minimization

Energy Minimization is a computational optimization technique in biomolecular modeling that identifies the lowest potential energy conformation of a molecular system by iteratively adjusting atomic coordinates to reduce forces acting on the system, thereby achieving a stable structural state.

6K

Publications

627.3K

Citations

13K

Authors

2.7K

Institutions

Publications per year

2017–2026

1.2K

Parents

Children

Publications

6K

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

, , +17

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

<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

The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +17

1–5 of 6K

Authors

13K

  1. HA
    Harold A. Scheraga

    Cornell University, United States

    74 publications · 7.3K citations

    43

    h-index

  2. DJ
    David J. Wales

    University of Cambridge, United Kingdom

    74 publications · 5.3K citations

    41

    h-index

  3. MH
    Martin Head‐Gordon

    University of California, Berkeley, United States

    30 publications · 3.5K citations

    26

    h-index

  4. MK
    Martin Karplus

    Harvard University, United States

    27 publications · 18.2K citations

    22

    h-index

  5. DG
    Donald G. Truhlar

    University of Minnesota, United States

    26 publications · 3.4K citations

    21

    h-index

1–5 of 13K

Institutions

2.7K

  1. Cornell University

    Ithaca, United States

    59 h-index

    345 publications

    31.8K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    58 h-index

    462 publications

    28.5K citations

  3. University of Cambridge

    Cambridge, United Kingdom

    46 h-index

    210 publications

    27.4K citations

  4. Stanford University

    Stanford, United States

    44 h-index

    155 publications

    36.7K citations

  5. University of California, Berkeley

    Berkeley, United States

    43 h-index

    196 publications

    21.3K citations

  6. ETH Zurich

    Zurich, Switzerland

    41 h-index

    178 publications

    41.6K citations

  7. University of Illinois Urbana-Champaign

    Urbana, United States

    40 h-index

    187 publications

    44.3K citations

  8. New York University

    New York, United States

    40 h-index

    148 publications

    14.1K citations

1–8 of 2.7K

Venues

  1. The Journal of Chemical Physics

    770 publications · 107.8K citations

    126

    h-index

  2. Journal of Computational Chemistry

    358 publications · 88.9K citations

    86

    h-index

  3. Journal of Chemical Theory and Computation

    JCTC · 357 publications · 24.1K citations

    75

    h-index

  4. Journal of the American Chemical Society

    JACS · 94 publications · 13.5K citations

    55

    h-index

  5. The Journal of Physical Chemistry A

    167 publications · 12.5K citations

    54

    h-index

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