Graphics processing unit accelerated coarse-grained protein-protein docking

 

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dc.contributor.advisor Kuttel, Michelle Mary en_ZA
dc.contributor.advisor Gain, JE en_ZA
dc.contributor.advisor Best, RB en_ZA
dc.contributor.author Tunbridge, Ian William en_ZA
dc.date.accessioned 2015-01-06T19:04:46Z
dc.date.available 2015-01-06T19:04:46Z
dc.date.issued 2011 en_ZA
dc.identifier.citation Tunbridge, I. 2011. Graphics processing unit accelerated coarse-grained protein-protein docking. University of Cape Town. en_ZA
dc.identifier.uri http://hdl.handle.net/11427/11670
dc.description Includes abstract. en_ZA
dc.description Includes bibliographical references (leaves [187]-202). en_ZA
dc.description.abstract 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. en_ZA
dc.language.iso eng en_ZA
dc.title Graphics processing unit accelerated coarse-grained protein-protein docking en_ZA
dc.type Doctoral Thesis
uct.type.publication Research en_ZA
uct.type.resource Thesis en_ZA
dc.publisher.institution University of Cape Town
dc.publisher.faculty Faculty of Science en_ZA
dc.publisher.department Department of Computer Science en_ZA
dc.type.qualificationlevel Doctoral
dc.type.qualificationname PhD en_ZA
uct.type.filetype Text
uct.type.filetype Image
dc.identifier.apacitation Tunbridge, 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/11427/11670 en_ZA
dc.identifier.chicagocitation Tunbridge, 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/11427/11670 en_ZA
dc.identifier.vancouvercitation Tunbridge 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/11427/11670 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


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