dorsal/arxiv
View SchemaA computational study of the statistical mechanics of antibody-antigen conformations
| Authors | Patricia Theodosopoulos, Ted Theodosopoulos |
|---|---|
| Categories | |
| ArXiv ID | q-bio/0406012 |
| URL | https://arxiv.org/abs/q-bio/0406012 |
Abstract
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.
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"abstract": "We describe the representation of the chemical affinity between the\nantigen-combining site of the immunoglobulin molecule and the antigen molecule\nas the probability of the two molecules existing in a bound state. Our model is\nbased on the identification of shape attractors in the configuration space for\nthe joint antibody / antigen combining site sequence. We parameterize\nconfiguration space in terms of Ramachandran angles. The shape attractors allow\nus to construct a Markov chain whose steady state distribution gives rise to\nthe desired attachment probability. As a result we are able to delineate the\nenthalpic, entropic and kinetic components of affinity and study their\ninteractions.",
"arxiv_id": "q-bio/0406012",
"authors": [
"Patricia Theodosopoulos",
"Ted Theodosopoulos"
],
"categories": [
"q-bio.QM",
"q-bio.BM",
"q-bio.PE"
],
"title": "A computational study of the statistical mechanics of antibody-antigen conformations",
"url": "https://arxiv.org/abs/q-bio/0406012"
},
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