Peptides offer great promise as targeted affinity ligands, but the space of possible peptide sequences is vast, making experimental identification of lead candidates expensive, difficult, and uncertain. Computational modeling can narrow the search by estimating the affinity and specificity of a given peptide in relation to a predetermined protein target. The predictive performance of computational models of interactions of intermediate-length peptides with proteins can be improved by taking into account the stochastic nature of the encounter and binding dynamics.
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- Biomedical Engineering
- affinity ligands
- molecular modeling
- peptide-protein interfaces
- Peptides--Mathematical models.
- Proteins--Mathematical models.
- Chemical affinity--Mathematical models.
- Chemical affinity
- Ligands--Mathematical models.
- Partial requirement for: Ph.D., Arizona State University, 2010Note typethesis
- Includes bibliographical references (p. 227-250)Note typebibliography
- Field of study: Bioengineering