Molecular dynamics simulations
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Molecular dynamics simulates the movements of atoms and molecules using computational methods. The kinetic energy of the model system represents its temperature. For a more detailed explanation, please see Molecular dynamics in Wikipedia.
See AlsoSee Also
- Thermal motion of peptide
- Wide-opening of the HIV-1 protease active site, a 50 ns all-atom molecular dynamics simulation showing the wide-opening of the active site. Compare with Flaps Morph for HIV Protease.