Modeling of Bimolecular Reactions

Definition

A bimolecular reaction refers to the chemical combination of two molecular entities in a reaction that can be considered either reversible or irreversible. The reaction can involve two chemically distinct molecules, e.g., A + B, or two identical molecules, e.g., A + A. The reaction can be characterized with respect to association and dissociation rate constants, which also define the equilibrium constant. However, it is also possible to establish the equilibrium constant without direct knowledge of the rate constants. For many applications to biological systems, one or both of the components possess multiple reaction sites and/or distinct conformational states, adding levels of complexity that must be considered for a complete description of the system.

Detailed Description

For computational neuroscience encompassing the molecular level, bimolecular reactions are encountered for virtually all topics considered. Neurons and their accompanying cells of other classes are living...