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.
Download count: 0
- Partial requirement for: Ph.D., Arizona State University, 2011Note typethesis
- Includes bibliographical referencesNote typebibliography
- Field of study: Chemistry