Intrinsic Relative Stabilities of the Neutral Tautomers of Arginine Side-Chain Models.

The specific protonation state of amino acids is crucial for the physicochemical properties of proteins and their biological functions. These protonation states influence, for instance, properties related to hydrogen bonding, solubility, and folding. pKa calculations for proteins are, therefore, important and require, in principle, a specification of the… CONTINUE READING