STRUCTURE AND DYNAMICS OF THE WATER AROUND MYOGLOBIN

The interplay between simulations at various levels of hydration and e xperimental observables has led to a picture of the role of solvent in thermodynamics and dynamics of protein systems. One of the most studi ed protein-solvent systems is myoglobin, which serves as a paradigm fo r the development of structure-function relationships in many biophysi cal studies. We review here some aspects of the solvation of myoglobin and the resulting implications. In particular, recent theoretical and simulation studies unify much of the diverse set of experimental resu lts on water near proteins.