Biomaterial Database

Mathematical models for ligand-receptor binding. Real sites, ghost sites. 1984

I M Klotz, and D L Hunston

In the basic life sciences the term "model" implies a physical, chemical, or molecular construct that provides a representation for the interpretation of experimental observations. To the statistician, however, a model is a mathematical expression for correlating data, which may or may not have roots in a molecular picture. With regard to ligand-receptor interactions, the mathematical model used plays a crucial role in extrapolations of binding measurements. Regardless of the statistical goodness of fit of data to an equation, the relationships of the parameters of a mathematical formalism to the molecular features of ligand-receptor complexes are generally very complex. Oversimplified interpretations of the molecular significance of the constants derived from binding measurements are unwarranted, unless one has independent information from molecular probes.

UI	MeSH Term	Description	Entries
D007700	Kinetics	The rate dynamics in chemical or physical systems.
D008024	Ligands	A molecule that binds to another molecule, used especially to refer to a small molecule that binds specifically to a larger molecule, e.g., an antigen binding to an antibody, a hormone or neurotransmitter binding to a receptor, or a substrate or allosteric effector binding to an enzyme. Ligands are also molecules that donate or accept a pair of electrons to form a coordinate covalent bond with the central metal atom of a coordination complex. (From Dorland, 27th ed)	Ligand
D008433	Mathematics	The deductive study of shape, quantity, and dependence. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)	Mathematic
D008954	Models, Biological	Theoretical representations that simulate the behavior or activity of biological processes or diseases. For disease models in living animals, DISEASE MODELS, ANIMAL is available. Biological models include the use of mathematical equations, computers, and other electronic equipment.	Biological Model,Biological Models,Model, Biological,Models, Biologic,Biologic Model,Biologic Models,Model, Biologic
D011955	Receptors, Drug	Proteins that bind specific drugs with high affinity and trigger intracellular changes influencing the behavior of cells. Drug receptors are generally thought to be receptors for some endogenous substance not otherwise specified.	Drug Receptors,Drug Receptor,Receptor, Drug