A computational study of the statistical mechanics of antibody-antigen conformations

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dc.creatorTheodosopoulos, Patricia
dc.creatorTheodosopoulos, Ted
dc.date2004-06-04
dc.date.accessioned2026-07-07T05:58:28Z
dc.date.available2026-07-07T05:58:28Z
dc.descriptionWe 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.
dc.description12 pages, 5 figures
dc.identifierhttps://arxiv.org/abs/q-bio/0406012
dc.identifierhttp://arxiv.org/abs/q-bio/0406012
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/88366
dc.subjectQuantitative Methods
dc.subjectBiomolecules
dc.subjectPopulations and Evolution
dc.titleA computational study of the statistical mechanics of antibody-antigen conformations
dc.typetext

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