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Molecular Dynamics Simulation
chemistry
molecular dynamics
7
metabolism
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Article
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Molecular dynamics
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Protein Binding
3
Proteins
3
QM/MM
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priority journal
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protein
3
protein binding
3
unclassified drug
3
Bacterial Proteins
2
Drug Design
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Escherichia coli Proteins
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Escherichia coli protein
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Ligands
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Molecular Docking Simulation
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Mycobacterium tuberculosis
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Phosphorylation
2
Protein Conformation
2
Solvents
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Thermodynamics
2
Water
2
bacterial protein
2
complex formation
2
computer simulation
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drug design
2
enzyme mechanism
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3JOUR
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7por Marsico, F., Burastero, O., Defelipe, L.A., Lopez, E.D., Arrar, M., Turjanski, A.G., Marti, M.A.JOUR