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Fragment based protein structure prediction. (c2013)

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dc.contributor.author Terzian, Meghrig Ohanes
dc.date.accessioned 2016-03-04T09:29:35Z
dc.date.available 2016-03-04T09:29:35Z
dc.date.copyright 2013-07-18
dc.date.issued 2016-03-04
dc.identifier.uri http://hdl.handle.net/10725/3265
dc.description.abstract In recent years, the protein structure prediction problem has come under extensive investigation, and computational structure prediction methods are circumventing the time-consuming experimental methods by accelerating the prediction process. This work presents a fragment based protein tertiary structure prediction method that provides suboptimal structures. In addition, it demonstrates the advantage of using the CHARMM36 energy model. The method is based on a two-phase Scatter Search metaheuristic that minimizes the energy function. Backbone fragments selections extracted from the Robetta server are followed by side chain selections, extracted from the Dunbrack Library. The results, evaluated on three proteins, show that the algorithm produces tertiary structures with promising root mean square deviations, within reasonable times. en_US
dc.language.iso en en_US
dc.subject Proteins -- Structure -- Mathematical models en_US
dc.subject Dissertations, Academic en_US
dc.subject Lebanese American University -- Dissertations en_US
dc.title Fragment based protein structure prediction. (c2013) en_US
dc.type Thesis en_US
dc.term.submitted Summer I en_US
dc.author.degree MS in Computer Science en_US
dc.author.school SAS en_US
dc.author.idnumber 201000119 en_US
dc.author.commembers Haraty, Ramzi
dc.author.commembers El-Sibai, Mirvat
dc.author.woa OA en_US
dc.author.department Computer Science and Mathematics en_US
dc.description.embargo N/A en_US
dc.description.physdesc 1 hard copy: xiii, 63 leaves.; ill.; 30 cm. available at RNL. en_US
dc.author.advisor Mansour, Nashat
dc.keywords Protein Structure Prediction en_US
dc.keywords Scatter Search en_US
dc.keywords CHARMM36 en_US
dc.keywords Fragments en_US
dc.description.bibliographiccitations Includes bibliographical references (leaves 59-63). en_US
dc.identifier.doi https://doi.org/10.26756/th.2013.48 en_US
dc.publisher.institution Lebanese American University en_US


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