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molecular dynamics
priority journal
reaction analysis
Molecular Dynamics Simulation
6
Quantum Theory
6
Thermodynamics
6
quantum mechanics
6
unclassified drug
6
Article
4
Bacterial Proteins
4
Free energy
4
Molecular dynamics
4
Mycobacterium tuberculosis
4
Oxidation-Reduction
4
QM/MM
4
article
4
bacterial protein
4
catalysis
4
chemistry
4
computer simulation
4
enzymology
4
human
4
nonhuman
4
oxidation reduction reaction
4
pH
4
quantum theory
4
thermodynamics
4
tyrosine
4
Acid-base equilibria
2
Algorithms
2
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7SER
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8JOUR
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