Protein structure and functionally-oriented dynamics: from atomistic to Coarse-grained models

The overwhelming majority of biological processes relies on the capability of proteins to sustain conformational changes so to selectively recognise, bind and process other molecules, being them proteins, nucleic acids or other chemical compounds. The paradigmatic tripartite characterization of proteins in terms of sequence→structure→function has served to interpret the above-mentioned capability as being encoded in proteins' native structures, which is in turn determined by the amino acidic sequence...