Computational mechanics analysis of the hidden conformational dynamics within a molecular trajectory

  • Larry Godwin

Student thesis: Master's Thesis › Master of Science (by Research)

Abstract

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Date of AwardOct 2013
Original languageEnglish
SupervisorAmit Chattopadhyay (Supervisor) & Dmitry Nerukh (Supervisor)

Keywords

  • protein folding
  • peptide dynamics
  • conformational conformational dynamics of protein/peptides
  • molecular dynamic simulation (MD)
  • computational mechanics (CM)
  • causal states
  • metastable states
  • GROMACS
  • verlet algorithm
  • e-machine
  • biomolecular simulation
  • microscopic interactions and trajectories

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