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chemistry
metabolism
molecular dynamics
Molecular Dynamics Simulation
4
Article
3
Protein Conformation
3
Proteins
3
protein
3
protein conformation
3
unclassified drug
3
Ligands
2
Models, Molecular
2
Molecular Docking Simulation
2
Molecular dynamics
2
QM/MM
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Solvents
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catalysis
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enzyme mechanism
2
ligand
2
molecular docking
2
molecular model
2
priority journal
2
solvent
2
Accuracy and precision
1
Accurate prediction
1
Adenosine Triphosphate
1
Amides
1
Bacterial Proteins
1
Bicarbonates
1
Binding energy
1
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5por Marsico, F., Burastero, O., Defelipe, L.A., Lopez, E.D., Arrar, M., Turjanski, A.G., Marti, M.A.JOUR