Login / Signup

QM/MM Simulations of Enzymatic Hydrolysis of Cellulose: Probing the Viability of an Endocyclic Mechanism for an Inverting Cellulase.

Caroline S. PereiraRodrigo L. SilveiraMunir S. Skaf
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • numerical simulations
  • data sets
  • selection mechanism
  • average error
  • neural network
  • information systems
  • iterative methods
  • molecular dynamics
  • rms error