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Marimuthu Krishnan, Ph.D.
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Marimuthu Krishnan Ph.D.

Post-doctoral Research Associate (2006 - 2010)

Center for Molecular Biophysics,
Oak Ridge National Laboratory,
PO Box 2008 MS6309,

Oak Ridge , Tennessee 37831-6309


  1. Ph.D.: Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India, 2005.
  2. M.Sc.(Physics): The American College, Madurai Kamaraj University, Madurai, Tamil Nadu, India, 1999.
  3. B.Sc.(Physics): Madurai Kamaraj University,
  4. Madurai, Tamil Nadu, India, 1997


Research Interest :

  • Low-temperature anharmonicity in protein dynamics
  • Potential energy landscape and the protein glass transition
  • Protein-Ligand binding/Molecular recognition
  • Protein-Protein interactions
  • Water models
  • Polarizable force fields
  • Analysis of protein dynamics using computer simulation and neutron scattering experiments
  • Applications of computer simulation to interpret protein motional parameters obtained from Nuclear Magnetic Resonance (NMR) relaxation experiments


  1. Temperature Dependence of Protein Dynamics Simulated With Three Different Water Models
    Dennis Glass, Marimuthu Krishnan, David Nutt, Jeremy C. Smith
    Journal of Chemical Theory and Computation (2010) (in press)
  2. High-performance Computer Simulation in the Energy Biosciences
    J. Xu, M. Crowley, L. Petridis, H. Guo, H. Guo, M. Krishnan, B. Lindner, A. Summers, S. Miller, L. Liang, J. Parks, R. Schulz, M. Saharay, X. Cheng, Jeremy C. Smith
    Journal of Physics: Conference Series (2009) (in press)
  3. Structure and Dynamics of Biological Systems: Integration of Neutron Scattering with Computer Simulation
    Jeremy C. Smith, M. Krishnan, L. Petridis and N. Smolin
    Dynamics of Soft Matter: Neutron Applications, ed. V. Garcia Sakai, C. Alba-Simionesco, and S-H. Chen, Springer Verlag
  4. Response of Small-Scale, Methyl Rotors to Protein-Ligand Association: A Simulation Analysis of Calmodulin-Peptide Binding
    M. Krishnan and Jeremy C. Smith
    Journal of the American Chemical Society, 131, 10083 (2009)
  5. Protein Dynamical Transition : Role of Methyl Dynamics and Local Diffusion
    M. Krishnan, R. Schulz, and Jeremy C. Smith
    Conference Proceedings of the American Institute of Physics (2009)
  6. Instantaneous Normal Modes and the Protein Glass Transition
    Roland Schulz, Marimuthu Krishnan, Isabella Daidone, and Jeremy C. Smith
    Biophysical Journal,  96, 476 (2009)
  7. Methyl Group Dynamics and the Onset of Anharmonicity in Myoglobin
    M. Krishnan, V. Kurkal-Siebert, and Jeremy C. Smith
    Journal of Physical Chemistry B, 112, 5522 (2008)
  8. Phase Behaviour of Ultrathin Crystalline n-Heptane films on Graphite: An Atomistic Simulation Study
    M. Krishnan and S. Balasubramanian
    Physical Chemistry Chemical Physics, 7, 2044 (2005)
  9. n-Heptane under Pressure: Structure and Dynamics from Molecular Simulations
    M. Krishnan and S. Balasubramanian
    Journal of Physical Chemistry B, 109, 1936 (2005) (Appeared with cover art)
  10. Order-disorder transitions and melting in a helical polymer crystal: Molecular dynamics
    calculations of model poly(ethylene oxide)
    M. Krishnan and S. Balasubramanian
    Chemical Physics Letters, 385, 351 (2004)
  11. Structure of solid monolayers and multilayers of n-hexane on graphite
    M. Krishnan and S. Balasubramanian, and S. Clarke
    Proceedings of Indian Academy of Sciences (Chemical Sciences), 115, 663 (2003)
  12. Vibrational dynamics of solid poly(ethylene oxide)
    M. Krishnan and S. Balasubramanian
    Physical Review B, 68, 064304-1, (2003)
  13. An atomistic simulation study of a solid monolayer and trilayer of n-hexane on graphite
    M. Krishnan, S. Balasubramanian, and S. Clarke
    Journal of Chemical Physics, 118, 5082 (2003)
  14. Computer simulation study of water using a fluctuating charge model
    M. Krishnan, A. Verma, and S. Balasubramanian
    Proceedings of the Indian Academy of Sciences (Chemical Sciences), 113, 579 (2001)