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

Simple item page
dc.contributor.advisorMa, Jianpengen_US
dc.contributor.committeeMemberHuang, Huey W.en_US
dc.contributor.committeeMemberRaphael, Robert M.en_US
dc.creatorZhang, Chongen_US
dc.date.accessioned2013-07-24T19:52:39Zen_US
dc.date.accessioned2013-07-24T19:52:42Zen_US
dc.date.available2013-07-24T19:52:39Zen_US
dc.date.available2013-07-24T19:52:42Zen_US
dc.date.created2012-12en_US
dc.date.issued2013-07-24en_US
dc.date.submittedDecember 2012en_US
dc.date.updated2013-07-24T19:52:42Zen_US
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.en_US
dc.format.mimetypeapplication/pdfen_US
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>.en_US
dc.identifier.slug123456789/ETD-2012-12-286en_US
dc.identifier.urihttps://hdl.handle.net/1911/71708en_US
dc.language.isoengen_US
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.en_US
dc.subjectDeformable complex networken_US
dc.subjectDCNen_US
dc.subjectRefinementen_US
dc.subjectLow resolutionen_US
dc.subjectBiomolecular crystallographyen_US
dc.titleImproved Biomolecular Crystallography at Low Resolution with the Deformable Complex Network Approachen_US
dc.typeThesisen_US
dc.type.materialTexten_US
thesis.degree.departmentApplied Physicsen_US
thesis.degree.disciplineNatural Sciencesen_US
thesis.degree.grantorRice Universityen_US
thesis.degree.levelMastersen_US
thesis.degree.nameMaster of Scienceen_US
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 Theses and Dissertations