Relating Protein Structure and Scalar Couplings: Improving the Karplus Relation
Abstract/Contents
- Abstract
- Intrinsically disordered proteins (IDPs) are implicated in an increasing number of neurodegenerative diseases, including Parkinson's, Alzheimer's, and Huntington's disease. While our knowledge of protein structures in the crystalline phase is advanced, IDPs do not readily crystallize, and the tools we have to study protein structure in solution are more limited. In this project, we integrated X-ray crystal-structure data from the PDB repository, solution-phase NMR spectroscopy data from the BMRB database, and molecular dynamics simulations to improve the accuracy of the Karplus Relation, an especially important but dated tool used towards solving the structures of solution-phase proteins. Improvement of the Karplus Relation would advance our understanding of protein dynamics and aid in small-molecule drug design.
Description
Type of resource | text |
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Date created | June 14, 2015 |
Creators/Contributors
Author | El-Gabalawy, Osama M. | |
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Primary advisor | Pande, Vijay S. | |
Advisor | Mudgett, Mary Beth | |
Degree granting institution | Stanford University, Department of Biology, 2015 |
Subjects
Subject | Biology |
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Subject | scalar |
Subject | coupling |
Subject | karplus |
Subject | NMR |
Subject | molecular dynamics |
Subject | Department of Biology |
Subject | Stanford |
Genre | Thesis |
Bibliographic information
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- User agrees that, where applicable, content will not be used to identify or to otherwise infringe the privacy or confidentiality rights of individuals. Content distributed via the Stanford Digital Repository may be subject to additional license and use restrictions applied by the depositor.
- License
- This work is licensed under a Creative Commons Attribution Share Alike 3.0 Unported license (CC BY-SA).
Preferred citation
- Preferred Citation
- El-Gabalawy, Osama M. and Pande, Vijay S. and Mudgett, Mary Beth. (2015). Relating Protein Structure and Scalar Couplings: Improving the Karplus Relation. Stanford Digital Repository. Available at: http://purl.stanford.edu/tk526dx0882
Collection
Undergraduate Theses, Department of Biology, 2014-2015
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- Contact
- osamae@stanford.edu
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