Electrostatics and dynamics of proteins
Résumé
Proteins are the working chemists of living cells. They are complex macromolecules, which display a rich and sometimes counterintuitive behaviour on many length- and timescales. They contain charged and polar groups, and electrostatic interactions control important aspects of their structure and function. Experiments and computer simulations have been used intensively to probe their electrostatic and dielectric properties. A simple framework to rationalize the results is continuum electrostatics, even though proteins are smaller than the usual, macroscopic length scales of continuum theory. We discuss selected topics, including protein structure, dynamics, and solvation; the dielectric response of proteins at large (macromolecular) and small (atomic) length scales, and the physical and numerical basis of current continuum models of proteins and protein solvation.