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priority journal
quantum mechanics
molecular dynamics
9
article
8
Quantum Theory
6
molecular mechanics
6
Humans
5
Kinetics
5
Models, Molecular
5
computer simulation
5
hydrogen bond
5
nonhuman
5
oxygen
5
proton transport
5
Computer Simulation
4
Ligands
4
Molecular Dynamics Simulation
4
Molecular dynamics
4
Protein Conformation
4
catalysis
4
heme
4
human
4
unclassified drug
4
Animals
3
Binding Sites
3
Computer simulation
3
Oxidation
3
binding site
3
chemistry
3
cysteine
3
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6JOUR
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