Graphics processing unit accelerated coarse-grained protein-protein docking

dc.contributor.advisorKuttel, Michelle Maryen_ZA
dc.contributor.advisorGain, JEen_ZA
dc.contributor.advisorBest, RBen_ZA
dc.contributor.authorTunbridge, Ian Williamen_ZA
dc.date.accessioned2015-01-06T19:04:46Z
dc.date.available2015-01-06T19:04:46Z
dc.date.issued2011en_ZA
dc.descriptionIncludes abstract.en_ZA
dc.descriptionIncludes bibliographical references (leaves [187]-202).en_ZA
dc.description.abstractIn this work, we describe a Graphics processing unit (GPU) implementation of the Kim-Hummer coarse-grained model for protein docking simulations, using a Replica Exchange Monte-Carlo (REMC) method. Our highly parallel implementation vastly increases the size- and time scales accessible to molecular simulation. We describe in detail the complex process of migrating the algorithm to a GPU as well as the effect of various GPU approaches and optimisations on algorithm speed-up.en_ZA
dc.identifier.apacitationTunbridge, I. W. (2011). <i>Graphics processing unit accelerated coarse-grained protein-protein docking</i>. (Thesis). University of Cape Town ,Faculty of Science ,Department of Computer Science. Retrieved from http://hdl.handle.net/11427/11670en_ZA
dc.identifier.chicagocitationTunbridge, Ian William. <i>"Graphics processing unit accelerated coarse-grained protein-protein docking."</i> Thesis., University of Cape Town ,Faculty of Science ,Department of Computer Science, 2011. http://hdl.handle.net/11427/11670en_ZA
dc.identifier.citationTunbridge, I. 2011. Graphics processing unit accelerated coarse-grained protein-protein docking. University of Cape Town.en_ZA
dc.identifier.ris TY - Thesis / Dissertation AU - Tunbridge, Ian William AB - In this work, we describe a Graphics processing unit (GPU) implementation of the Kim-Hummer coarse-grained model for protein docking simulations, using a Replica Exchange Monte-Carlo (REMC) method. Our highly parallel implementation vastly increases the size- and time scales accessible to molecular simulation. We describe in detail the complex process of migrating the algorithm to a GPU as well as the effect of various GPU approaches and optimisations on algorithm speed-up. DA - 2011 DB - OpenUCT DP - University of Cape Town LK - https://open.uct.ac.za PB - University of Cape Town PY - 2011 T1 - Graphics processing unit accelerated coarse-grained protein-protein docking TI - Graphics processing unit accelerated coarse-grained protein-protein docking UR - http://hdl.handle.net/11427/11670 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/11670
dc.identifier.vancouvercitationTunbridge IW. Graphics processing unit accelerated coarse-grained protein-protein docking. [Thesis]. University of Cape Town ,Faculty of Science ,Department of Computer Science, 2011 [cited yyyy month dd]. Available from: http://hdl.handle.net/11427/11670en_ZA
dc.language.isoengen_ZA
dc.publisher.departmentDepartment of Computer Scienceen_ZA
dc.publisher.facultyFaculty of Scienceen_ZA
dc.publisher.institutionUniversity of Cape Town
dc.titleGraphics processing unit accelerated coarse-grained protein-protein dockingen_ZA
dc.typeDoctoral Thesis
dc.type.qualificationlevelDoctoral
dc.type.qualificationnamePhDen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceThesisen_ZA
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