5. Structural bioinformatics

Alongside sequence analysis, the manipulation and study of macromolecule structures is the other historical theme of bioinformatics. This field has contributed to numerous algorithmic innovations, particularly in the field of predictive methods.

The simulation of protein vibrations and folding (molecular dynamics and modeling) is also a relatively old theme, but uses concepts less specific to bioinformatics, mostly borrowed from physical chemistry, numerical analysis and applied mathematics. They will therefore not be discussed here.