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Quantum Mechanical/Molecular Mechanical Study of Catalytic Mechanism and Role of Key Residues in Methylation Reactions Catalyzed by Dimethylxanthine Methyltransferase in Caffeine Biosynthesis.
Yufei Yue
Hong Guo
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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quantum mechanics
real time
genetic algorithm
learning environment
empirical studies
key factors