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density functional theory
priority journal
Density functional theory
16
article
12
chemical structure
10
controlled study
10
quantum mechanics
10
unclassified drug
10
Article
8
hydrogen bond
8
oxygen
8
Conformation
6
Conformations
6
Humans
6
Hydrogen Bonding
6
Models, Molecular
6
geometry
6
hemoglobin
6
molecular dynamics
6
molecular model
6
nitric oxide
6
Binding Sites
4
Carbohydrate Conformation
4
Complexation
4
Crystal structure
4
Heme
4
Hemoglobins
4
Hydrogen bonds
4
Molecular dynamics
4
Nitric Oxide
4
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15JOUR
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