Interaction energy

In physics, interaction energy is the contribution to the total energy that is caused by an interaction between the objects being considered. The… (More)
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2012
2012
In this work we consider local minimizers (in the topology of transport distances) of the interaction energy associated to a… (More)
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2011
Highly Cited
2011
A new method is proposed to detect abnormal behaviors in human group activities. This approach effectively models group… (More)
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2007
Highly Cited
2007
We present a binding free energy function that consists of force field terms supplemented by solvation terms. We used this… (More)
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2007
2007
The energy decomposition analysis (EDA) by Kitaura and Morokuma was redeveloped in the framework of the fragment molecular… (More)
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2007
2007
Standard density functional theory (DFT) is augmented with a damped empirical dispersion term. The damping function is optimized… (More)
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2006
Highly Cited
2006
MOTIVATION Protein assemblies are currently poorly represented in structural databases and their structural elucidation is a key… (More)
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2005
Highly Cited
2005
MOTIVATION Identifying the location of ligand binding sites on a protein is of fundamental importance for a range of applications… (More)
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2005
Highly Cited
2005
Intrinsically unstructured/disordered proteins and domains (IUPs) lack a well-defined three-dimensional structure under native… (More)
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1998
Highly Cited
1998
A recent method for estimating ligand binding affinities is extended. This method employs averages of interaction potential… (More)
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1997
Highly Cited
1997
A two-stage procedure for the determination of a united-residue potential designed for protein simulations is outlined. In the… (More)
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