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Exploring the Substrate-Assisted Dehydration of Chorismate Catalyzed by Dehydratase MqnA from QM/MM Calculations: The Role of Pocket Residues and the Hydrolysis Mechanism of N17D Mutant.

Lihua DongYongjun Liu
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • real time
  • differential evolution
  • protein sequences
  • protein structure
  • rms error
  • data sets
  • genetic algorithm
  • information systems
  • evolutionary algorithm
  • computational model
  • selection mechanism