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Insights into the Dynamics and Dissociation Mechanism of a Protein Redox Complex Using Molecular Dynamics.

Scott A. HollingsworthBrian D. NguyenGeorges ChreifiAnton P. ArceThomas L. Poulos
Published in: J. Chem. Inf. Model. (2017)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • protein folding
  • scientific data
  • high performance computing
  • fluid flow
  • complex systems
  • active learning
  • state space
  • management system