QSAR/QSPR modeling on gene delivery polymers and development of property-encoded protein binding site surface partial comparison method

Authors
Zhen, Zhuo
ORCID
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Other Contributors
Breneman, Curt M.
Bennett, Kristin P.
Colón, Wilfredo
Cramer, Steven M.
Kitchen, Douglas Bruce
McGown, Linda Baine
Issue Date
2015-05
Keywords
Chemistry
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
With the rapidly increasing size and availability of small molecule, polymers and protein crystal structure data, a variety of cheminformatics methodologies have been developed and widely used in drug discovery and material science to both extract information from these collections as well as to shorten design cycles for new molecules and materials. In the work described in this thesis, both traditional and novel cheminformatics approaches were employed to address problems in material informatics and gene therapy. In addition, a new cheminformatics method was developed that can be used in traditional drug discovery workflows.
Description
May 2015
School of Science
Large supplemental files are available on DVD included with the print format of this thesis.
Department
Dept. of Chemistry and Chemical Biology
Publisher
Rensselaer Polytechnic Institute, Troy, NY
Relationships
Rensselaer Theses and Dissertations Online Collection
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