Studying the Dynamic Behavior of Molecules

A molecular system at room temperature is accurately characterized by its motion. Molecular dynamics simulations calculate the future positions and velocities of atoms based upon their current values. You can obtain qualitative and quantitative data from HyperChem molecular dynamics simulations. 

The greatest value of molecular dynamic simulations is that they complement and help to explain existing data for designing new experiments. The simulations are increasingly useful for structural refinement of models generated from NMR, distance geometry, and X-ray data. 

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