Force field (chemistry)

Known as: Force field, Force field chemistry 
In the context of molecular modeling, a force field (a special case of energy functions or interatomic potentials; not to be confused with force… (More)
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Highly Cited
2009
Highly Cited
2009
The widely used CHARMM additive all-atom force field includes parameters for proteins, nucleic acids, lipids, and carbohydrates… (More)
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Highly Cited
2007
Highly Cited
2007
The authors describe the development and testing of a semiempirical free energy force field for use in AutoDock4 and similar grid… (More)
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Highly Cited
2007
Highly Cited
2007
A new derivation of the GLYCAM06 force field, which removes its previous specificity for carbohydrates, and its dependency on the… (More)
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Highly Cited
2005
Highly Cited
2005
FoldX is an empirical force field that was developed for the rapid evaluation of the effect of mutations on the stability… (More)
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Highly Cited
2004
Highly Cited
2004
We describe here a general Amber force field (GAFF) for organic molecules. GAFF is designed to be compatible with existing Amber… (More)
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Highly Cited
2000
Highly Cited
2000
Empirical force-field calculations on biological molecules represent an effective method to obtain atomic detail information on… (More)
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Highly Cited
1996
Highly Cited
1996
The parametrization and testing of the OPLS all-atom force field for organic molecules and peptides are described. Parameters for… (More)
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Highly Cited
1995
Highly Cited
1995
We present the derivation of a new molecular mechanical force field for simulating the structures, conformational energies, and… (More)
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Highly Cited
1992
Highly Cited
1992
showing that bonding capabilities of silylene, germylene, and stannylene are considerably lower than those of methylene. The… (More)
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Highly Cited
1990
Highly Cited
1990
We report the parameters for a new generic force field, DREIDING, that we find useful for predicting structures and dynamics of… (More)
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