Fixed-Charge Force Fields is a class of molecular mechanics force fields in which atomic charges are predetermined and held constant during simulations, distinguishing it from polarizable or variable-charge force field models by assuming an unchanging electrostatic potential.
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3.9K
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150
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73
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2017–2026
23
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Publications
52
Karl T. Debiec, David S. Cerutti, Lewis R. Baker et al. · Journal of Chemical Theory and Computation · 2016 · 224 citations · Full text
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Centre National de la Recherche Scientifique
Paris, France
6 h-index
17 publications
2.1K citations
The University of Texas at Austin
Austin, United States
4 h-index
5 publications
248 citations
University of Delaware
Newark, United States
4 h-index
12 publications
320 citations
Zhejiang University
Hangzhou, China
3 h-index
5 publications
402 citations
Princeton University
Princeton, United States
3 h-index
5 publications
212 citations
Aarhus University
Aarhus, Denmark
2 h-index
6 publications
219 citations
IBM Research - Almaden
San Jose, United States
2 h-index
6 publications
297 citations
Texas A&M University at Qatar
Doha, Qatar
2 h-index
4 publications
185 citations
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Venues
- The Journal of Physical Chemistry B
13 publications · 885 citations
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- Journal of Chemical Theory and Computation
JCTC · 8 publications · 611 citations
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- The Journal of Chemical Physics
7 publications · 1.7K citations
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- Journal of Computational Chemistry
3 publications · 119 citations
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- Journal of Chemical Information and Modeling
JCIM · 2 publications · 50 citations
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