Continuum electrostatic methods applied to pH-dependent properties of antibody-antigen association.
Protein association events are a critical component of the functioning of biological systems. Antibody/antigen association, which involves extraordinarily specific interactions, has been a paradigm for the study of structural factors and intermolecular forces controlling protein-protein association. As new experimental approaches to the study of antibody/antigen affinity have become routine, and as more structures of complexes of antibodies and their antigens have become available, it has become possible to use computational approaches to study these interactions. Electrostatic interactions are known to play an important role in protein complex formation. In this review, we focus on the use of continuum electrostatic methods to compute pH-dependent properties of proteins and discuss the use of these methods in the study of antibody/antigen complexes.
Gibas
C J
CJ
National Center for Supercomputing Applications, University of Illinois, Urbana, Illinois 61801, USA.
Jambeck
P
P
Subramaniam
S
S
D000818:Animals; D000937:Antigen-Antibody Reactions; D006801:Humans; D006863:Hydrogen-Ion Concentration; D055672:Static Electricity