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Structural explanation for the tunable substrate specificity of an E. coli nucleoside hydrolase: insights from molecular dynamics simulations.

Stefan A. P. LenzStacey D. Wetmore
Published in: J. Comput. Aided Mol. Des. (2018)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • structural model
  • high performance computing
  • database
  • data mining
  • scheduling problem
  • fine grained
  • gene regulatory networks