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Home » From Atoms to Supercomputers – What are Molecular Dynamics Simulations

From Atoms to Supercomputers – What are Molecular Dynamics Simulations

Proteins, the essential building blocks of life, have a large variety of shapes, mechanisms, and functions. Understanding the mechanism and function of different proteins will help in developing cures for many severe diseases. However, the scope of experimental research cannot always reach the required timescales or details to study the proteins. This is when computational research and especially simulating proteins come handy. How do protein simulations work and what can one observe in them?

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Outi Haapanen