Unlocking Protein Structure-Function Relationships

Unraveling the complex mechanisms governing the relationship between protein structure and function requires a multifaceted approach. In particular, the integration of experimental and computational approaches is exceptionally powerful in this context. However, while experimental techniques, such as X-ray crystallography and nuclear magnetic resonance (NMR), have been used for protein structure determination for over half a century, only in the last decade have computational tools gained sufficient power to assume a prominent role in the study of protein structure and function alongside experimental techniques.

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