Summary: Advances in DNA sequencing and structural biology over the years have revolutionized our understanding of structure-function relationship of these macromolecules. Especially, an increased number of protein structures in the Protein Data Bank have provided invaluable information about the precise position of each atom, which allows for the understanding of the protein structures and cellular machinery at atomic level and facilitates the discovery of therapeutic drugs. Complementary to experimental methods, in silico approaches can reveal additional information related to many aspects of the protein structure-function relationship, which could be masked by the static picture of the protein configuration.
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