Improved Biomolecular Crystallography at Low Resolution with the Deformable Complex Network Approach

Simple item page
dc.contributor.advisorMa, Jianpeng
dc.contributor.committeeMemberHuang, Huey W.
dc.contributor.committeeMemberRaphael, Robert M.
dc.creatorZhang, Chong
dc.date.accessioned2013-07-24T19:52:39Z
dc.date.accessioned2013-07-24T19:52:42Z
dc.date.available2013-07-24T19:52:39Z
dc.date.available2013-07-24T19:52:42Z
dc.date.created2012-12
dc.date.issued2013-07-24
dc.date.submittedDecember 2012
dc.date.updated2013-07-24T19:52:42Z
dc.description.abstractIt is often a challenge to atomically determine the structure of large macromolecular assemblies, even if successfully crystallized, due to their weak diffraction of X-rays. Refinement algorithms that work with low-resolution diffraction data are necessary for researchers to obtain a picture of the structure from limited experimental information. Relationship between the structure and function of proteins implies that a refinement approach delivering accurate structures could considerably facilitate further research on their function and other related applications such as drug design. Here a refinement algorithm called the Deformable Complex Network is presented. Computation results revealed that, significant improvement was observed over the conventional refinement and DEN refinement, across a wide range of test systems from the Protein Data Bank, indicated by multiple criteria, including the free R value, the Ramachandran Statistics, the GDT (<1Å) score, TM-score as well as associated electron density map.
dc.format.mimetypeapplication/pdf
dc.identifier.citationZhang, Chong. "Improved Biomolecular Crystallography at Low Resolution with the Deformable Complex Network Approach." (2013) Master’s Thesis, Rice University. <a href="https://hdl.handle.net/1911/71708">https://hdl.handle.net/1911/71708</a>.
dc.identifier.slug123456789/ETD-2012-12-286
dc.identifier.urihttps://hdl.handle.net/1911/71708
dc.language.isoeng
dc.rightsCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.
dc.subjectDeformable complex network
dc.subjectDCN
dc.subjectRefinement
dc.subjectLow resolution
dc.subjectBiomolecular crystallography
dc.titleImproved Biomolecular Crystallography at Low Resolution with the Deformable Complex Network Approach
dc.typeThesis
dc.type.materialText
thesis.degree.departmentApplied Physics
thesis.degree.disciplineNatural Sciences
thesis.degree.grantorRice University
thesis.degree.levelMasters
thesis.degree.nameMaster of Science
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
ZHANG-THESIS.pdf
Size:
2.52 MB
Format:
Adobe Portable Document Format
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.61 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Rice University Electronic Theses and Dissertations