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Hydrogen bonds
hydrogen bond
33
Molecular dynamics
26
Crystal structure
24
article
24
chemistry
23
Hydrogen Bonding
22
Hydrogen
18
crystal structure
16
Ligands
15
X ray crystallography
15
Molecules
14
chemical structure
14
Complexation
13
Molecular structure
12
molecular dynamics
12
Crystallography, X-Ray
11
Molecular Structure
11
Solvents
11
Models, Molecular
10
Molecular dynamics simulations
10
Ions
9
priority journal
9
Aromatic compounds
8
Atoms
8
Dimers
8
Molecular Dynamics Simulation
8
Oxygen
8
Quantum Theory
8
Amino acids
7
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