Conformational ensembles, also known as
structural ensembles are experimentally constrained computational models describing the structure of
intrinsically unstructured proteins. Such proteins are flexible in nature, lacking a stable
tertiary structure, and therefore cannot be described with a single structural representation. The techniques of ensemble calculation are relatively new on the field of
structural biology, and are still facing certain limitations that need to be addressed before it will become comparable to classical structural description methods such as
biological macromolecular crystallography.