molecular dynamics simulation

Molecular dynamics simulation is a computer-based method used to study how atoms and molecules behave and interact over time. By applying the laws of physics, it predicts the movement and changes of molecules within a system, such as a protein or liquid. This technique helps scientists understand structures, reactions, and properties at a molecular level, which can be difficult to observe directly. Essentially, it creates a virtual "movie" of molecules moving and interacting, providing insights into their behavior under different conditions without physical experiments.