Molecular Dynamics

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Molecular dynamics is another approach for the investigation of the atom location in space. In this approach, a single-point model is replaced by a dynamic model in which the nuclear system is forced into motion. Molecular dynamics can be used to explore conformational space, and is often the method of choice for large molecules such as proteins. Molecular dynamics simulation is becoming an invaluable tool for studying bimolecular structure and dynamics, the relationship between which is central to understanding important cellular processes.

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