Molecular dynamics simulations

From Proteopedia

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 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.