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Graphics processing unit accelerated coarse-grained protein-protein docking
Includes abstract.
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| Main Author: | |
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
| Published: |
Department of Computer Science
2015
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| _version_ | 1867613221081317376 |
|---|---|
| access_status_str | Open Access |
| author | Tunbridge, Ian William |
| author2 | Kuttel, Michelle Mary |
| author_browse | Kuttel, Michelle Mary Tunbridge, Ian William |
| author_facet | Kuttel, Michelle Mary Tunbridge, Ian William |
| author_sort | Tunbridge, Ian William |
| collection | Thesis |
| description | Includes abstract. |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/11670 |
| institution | University of Cape Town (South Africa) |
| language | eng |
| last_indexed | 2026-06-10T12:32:41.376Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2015 |
| publishDateRange | 2015 |
| publishDateSort | 2015 |
| publisher | Department of Computer Science |
| publisherStr | Department of Computer Science |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/11670 Graphics processing unit accelerated coarse-grained protein-protein docking Tunbridge, Ian William Kuttel, Michelle Mary Gain, JE Best, RB Includes abstract. Includes bibliographical references (leaves [187]-202). 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. 2015-01-06T19:04:46Z 2015-01-06T19:04:46Z 2011 Doctoral Thesis Doctoral PhD http://hdl.handle.net/11427/11670 eng application/pdf Department of Computer Science Faculty of Science University of Cape Town |
| spellingShingle | Tunbridge, Ian William Graphics processing unit accelerated coarse-grained protein-protein docking |
| thesis_degree_str | Doctoral |
| title | Graphics processing unit accelerated coarse-grained protein-protein docking |
| title_full | Graphics processing unit accelerated coarse-grained protein-protein docking |
| title_fullStr | Graphics processing unit accelerated coarse-grained protein-protein docking |
| title_full_unstemmed | Graphics processing unit accelerated coarse-grained protein-protein docking |
| title_short | Graphics processing unit accelerated coarse-grained protein-protein docking |
| title_sort | graphics processing unit accelerated coarse grained protein protein docking |
| url | http://hdl.handle.net/11427/11670 |
| work_keys_str_mv | AT tunbridgeianwilliam graphicsprocessingunitacceleratedcoarsegrainedproteinproteindocking |