Coarse grained models, bond orientational order, and the structural characterization of residue networks
Authors
Okan, Osman Burak
ORCID
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Other Contributors
Ozisik, Rahmi
GarcÃa, Angel E.
Chrisey, Douglas B.
Shi, Yunfeng
Rammohan, Aravind
GarcÃa, Angel E.
Chrisey, Douglas B.
Shi, Yunfeng
Rammohan, Aravind
Issue Date
2013-12
Keywords
Materials science and engineering
Degree
PhD
Terms of Use
This electronic version is a licensed copy owned by Rensselaer Polytechnic Institute, Troy, NY. Copyright of original work retained by author.
Full Citation
Abstract
Proteins are polypeptide chains that fold into compact 3-dimensional shapes, which determine their molecular function. Due their unique chemistry, coarse graining with hard spheres at the amino acid level works well for proteins. Following this framework, the first goal of the current study is to portray protein structure as a sphere packing problem and decipher the universal characteristics of globular proteins at the residue level. One of the most direct ways of spotting structural features that are shared among proteins is to find proper analogues from simpler condensed matter systems. In this respect, sphere packing arguments provide the most direct route for structural comparisons as they successfully characterize a wide array of materials such as close packed crystals, dense liquids, and structural glasses.
Description
December 2013
School of Engineering
School of Engineering
Department
Dept. of Materials Science and Engineering
Publisher
Rensselaer Polytechnic Institute, Troy, NY
Relationships
Rensselaer Theses and Dissertations Online Collection
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