ABSTRACT

Functional properties of proteins result from a delicate balance of different type of interactions. Among them, electrostatic interactions are a factor, whose importance becomes evident at any pH-dependent property, such as pH regulation of enzyme activity and substrate/inhibitor binding, pH dependence of protein stability, and many others. Electrostatic interactions in proteins cannot be measured directly. That is why their correct theoretical description is of key importance for studies on structure-function relationship in proteins.