2004/06/04 by Patricia Theodosopoulos, Theodosopoulos, Patricia, Ted Theodosopoulos +1
Biochemistry, Genetics and Molecular Biology · Immunology and Microbiology · Medicine · #Biomolecules (q-bio.BM) #FOS: Biological sciences #Glycosylation and Glycoproteins Research #Monoclonal and Polyclonal Antibodies Research #Populations and Evolution (q-bio.PE) #Quantitative Methods (q-bio.QM) #T-cell and B-cell Immunology #q-bio.BM #q-bio.PE #q-bio.QM
paper · pdf · doi:10.48550/arxiv.q-bio/0406012
12 pages, 5 figures
arxiv created 2004/06/04 · openalex publication_date 2004/06/04 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We describe the representation of the chemical affinity between the antigen-combining site of the immunoglobulin molecule and the antigen molecule as the probability of the two molecules existing in a bound state. Our model is based on the identification of shape attractors in the configuration space for the joint antibody / antigen combining site sequence. We parameterize configuration space in terms of Ramachandran angles. The shape attractors allow us to construct a Markov chain whose steady state distribution gives rise to the desired attachment probability. As a result we are able to delineate the enthalpic, entropic and kinetic components of affinity and study their interactions.