Internal Coordinate Mechanics

ICM stands for Internal Coordinate Mechanics and was first designed and built to predict low energy conformations of molecules by sampling the space… (More)
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Topic mentions per year

1994-2017
02419942017

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2017
2017
Despite its remarkable importance in the arena of drug design, serotonin 1A receptor (5-HT1A) has been elusive to the X-ray… (More)
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2012
2012
Flexible docking and scoring using the internal coordinate mechanics software (ICM) was benchmarked for ligand binding mode… (More)
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2010
2010
Human lipoxygenases (LOX) play important roles in the biosynthesis of leukotrienes which contribute to inflammation in asthma and… (More)
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2010
2010
Lipoxygenases (LOX) play pivotal roles in the biosynthesis of leukotrienes and other biologically active potent signalling… (More)
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2010
2010
SUMMARY SimiCon is a web server designed for an automated identification of equivalent protein-ligand atomic contacts in… (More)
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2010
2010
Lipoxygenases (LOX) play important roles in the biosynthesis of biologically active eicosanoids form polyunsaturated fatty acids… (More)
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2009
2009
A novel series of 1,3-diarylpyrazole derivatives (4–8), analogues to lonazolac, were designed, synthesized, and evaluated for… (More)
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2008
2008
In the present study, flexible ligand docking and multiple scoring were used to study the binding of long-chain fatty acid (LCFAs… (More)
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2000
2000
After the atomic coordinates themselves, the most important data in a homology model are the spatial reliability estimates… (More)
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