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Molecular dynamics (MD) simulations provide a particularly useful approach to understanding conformational change in biomolecular systems. MD simulations provide an atomistic, physics-based description of the motions accessible to biomolecular systems

Molecular dynamics (MD) simulations provide a particularly useful approach to understanding conformational change in biomolecular systems. MD simulations provide an atomistic, physics-based description of the motions accessible to biomolecular systems on the pico- to micro-second timescale, yielding important insight into the free energy of the system, the dynamical stability of contacts and the role of correlated motions in directing the motions of the system.

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    Date Created
    • 2011
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  • Text
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    • Partial requirement for: Ph.D., Arizona State University, 2011
      Note type
      thesis
    • Includes bibliographical references
      Note type
      bibliography
    • Field of study: Chemistry

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    by Daniel Barr

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