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

  • Larry Godwin

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

Abstract

DUE TO COPYRIGHT RESTRICTIONS ONLY AVAILABLE FOR CONSULTATION AT ASTON UNIVERSITY LIBRARY AND INFORMATION SERVICES WITH PRIOR ARRANGEMENT
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

Cite this

Computational mechanics analysis of the hidden conformational dynamics within a molecular trajectory
Godwin, L. (Author). Oct 2013

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